The Bidirectional Encoder Representations from Transformers (BERT) is currently one of the most important and state-of-the-art models for natural language. However, it has also been shown that for domain-specific tasks it is helpful to pretrain BERT on a domain-specific corpus. In this paper, we present TourBERT, a pretrained language model for tourism. We describe how TourBERT was developed and evaluated. The evaluations show that TourBERT is outperforming BERT in all tourism-specific tasks.  ( 2 min )

Empirically observed time series in physics, biology, or medicine, are commonly generated by some underlying dynamical system (DS) which is the target of scientific interest. There is an increasing interest to harvest machine learning methods to reconstruct this latent DS in a data-driven, unsupervised way. In many areas of science it is common to sample time series observations from many data modalities simultaneously, e.g. electrophysiological and behavioral time series in a typical neuroscience experiment. However, current machine learning tools for reconstructing DSs usually focus on just one data modality. Here we propose a general framework for multi-modal data integration for the purpose of nonlinear DS reconstruction and the analysis of cross-modal relations. This framework is based on dynamically interpretable recurrent neural networks as general approximators of nonlinear DSs, coupled to sets of modality-specific decoder models from the class of generalized linear models. Both an expectation-maximization and a variational inference algorithm for model training are advanced and compared. We show on nonlinear DS benchmarks that our algorithms can efficiently compensate for too noisy or missing information in one data channel by exploiting other channels, and demonstrate on experimental neuroscience data how the algorithm learns to link different data domains to the underlying dynamics.  ( 2 min )

Counterfactual explanations have recently been brought to light as a potentially crucial response to obtaining human-understandable explanations from predictive models in Explainable Artificial Intelligence (XAI). Despite the fact that various counterfactual algorithms have been proposed, the state of the art research still lacks standardised protocols to evaluate the quality of counterfactual explanations. In this work, we conducted a benchmark evaluation across different model agnostic counterfactual algorithms in the literature (DiCE, WatcherCF, prototype, unjustifiedCF), and we investigated the counterfactual generation process on different types of machine learning models ranging from a white box (decision tree) to a grey-box (random forest) and a black box (neural network). We evaluated the different counterfactual algorithms using several metrics including proximity, interpretability and functionality for five datasets. The main findings of this work are the following: (1) without guaranteeing plausibility in the counterfactual generation process, one cannot have meaningful evaluation results. This means that all explainable counterfactual algorithms that do not take into consideration plausibility in their internal mechanisms cannot be evaluated with the current state of the art evaluation metrics; (2) the counterfactual generated are not impacted by the different types of machine learning models; (3) DiCE was the only tested algorithm that was able to generate actionable and plausible counterfactuals, because it provides mechanisms to constraint features; (4) WatcherCF and UnjustifiedCF are limited to continuous variables and can not deal with categorical data.  ( 2 min )

Deep neural networks (DNNs) are effective in solving many real-world problems. Larger DNN models usually exhibit better quality (e.g., accuracy) but their excessive computation results in long inference time. Model sparsification can reduce the computation and memory cost while maintaining model quality. Most existing sparsification algorithms unidirectionally remove weights, while others randomly or greedily explore a small subset of weights in each layer for pruning. The limitations of these algorithms reduce the level of achievable sparsity. In addition, many algorithms still require pre-trained dense models and thus suffer from large memory footprint. In this paper, we propose a novel scheduled grow-and-prune (GaP) methodology without having to pre-train a dense model. It addresses the shortcomings of the previous works by repeatedly growing a subset of layers to dense and then pruning them back to sparse after some training. Experiments show that the models pruned using the proposed methods match or beat the quality of the highly optimized dense models at 80% sparsity on a variety of tasks, such as image classification, objective detection, 3D object part segmentation, and translation. They also outperform other state-of-the-art (SOTA) methods for model sparsification. As an example, a 90% non-uniform sparse ResNet-50 model obtained via GaP achieves 77.9% top-1 accuracy on ImageNet, improving the previous SOTA results by 1.5%. Code available at: https://github.com/boone891214/GaP.  ( 2 min )

The permanence of eye movements as a biometric modality remains largely unexplored in the literature. The present study addresses this limitation by evaluating a novel exponentially-dilated convolutional neural network for eye movement authentication using a recently proposed longitudinal dataset known as GazeBase. The network is trained using multi-similarity loss, which directly enables the enrollment and authentication of out-of-sample users. In addition, this study includes an exhaustive analysis of the effects of evaluating on various tasks and downsampling from 1000 Hz to several lower sampling rates. Our results reveal that reasonable authentication accuracy may be achieved even during both a low-cognitive-load task and at low sampling rates. Moreover, we find that eye movements are quite resilient against template aging after as long as 3 years.  ( 2 min )

We develop an algorithm which can learn from partially labeled and unsegmented sequential data. Most sequential loss functions, such as Connectionist Temporal Classification (CTC), break down when many labels are missing. We address this problem with Star Temporal Classification (STC) which uses a special star token to allow alignments which include all possible tokens whenever a token could be missing. We express STC as the composition of weighted finite-state transducers (WFSTs) and use GTN (a framework for automatic differentiation with WFSTs) to compute gradients. We perform extensive experiments on automatic speech recognition. These experiments show that STC can recover most of the performance of supervised baseline when up to 70% of the labels are missing. We also perform experiments in handwriting recognition to show that our method easily applies to other sequence classification tasks.  ( 2 min )

This work explores a new approach for optimization in the field of microfluidics, using the combination of CFD (Computational Fluid Dynamics), and Machine Learning techniques. The objective of this combination is to enable global optimization with lower computational cost. The initial geometry is inspired in a Y-type micromixer with cylindrical grooves on the surface of the main channel and obstructions inside it. Simulations for circular obstructions were carried out using the OpenFOAM software to observe the influences of obstacles. The effects of obstruction diameter (OD), and offset (OF) in the range of [20,140] mm and [10,160] mm, respectively, on percentage of mixing ($\varphi$), pressure drop ($\Delta P$) and energy cost ($\Delta P/\varphi$) were investigated. Numerical experiments were analyzed using machine learning. Firstly, a neural network was used to train the dataset composed by the inputs OD and OF and outputs $\varphi$ and $\Delta P$. The objective functions (ObF) chosen to numerically optimize the performance of micromixers with grooves and obstructions were $\varphi$, $\Delta P$, $\Delta P/\varphi$. The genetic algorithm obtained the geometry that offers the maximum value of $\varphi$ and the minimum value of $\Delta P_s$. The results show that $\varphi$ increases monotonically with increasing OD at all values of OF. The inverse is observed with increasing offset. Furthermore, the results reveal that $\Delta P$ e $\Delta P/\varphi$ also increase with OD. On the other hand, the pressure drop and the cost of mixing energy present a maximum close to the lowest values of OF. Finally, the optimal value obtained for the diameter was OD=131 mm and for the offset OF=10 mm, which corresponds to obstruction of medium size close to the channel wall.  ( 2 min )

How can a robot navigate successfully in rich and diverse environments, indoors or outdoors, along office corridors or trails on the grassland, on the flat ground or the staircase? To this end, this work aims to address three challenges: (i) complex visual observations, (ii) partial observability of local visual sensing, and (iii) multimodal robot behaviors conditioned on both the local environment and the global navigation objective. We propose to train a neural network (NN) controller for local navigation via imitation learning. To tackle complex visual observations, we extract multi-scale spatial representations through CNNs. To tackle partial observability, we aggregate multi-scale spatial information over time and encode it in LSTMs. To learn multimodal behaviors, we use a separate memory module for each behavior mode. Importantly, we integrate the multiple neural network modules into a unified controller that achieves robust performance for visual navigation in complex, partially observable environments. We implemented the controller on the quadrupedal Spot robot and evaluated it on three challenging tasks: adversarial pedestrian avoidance, blind-spot obstacle avoidance, and elevator riding. The experiments show that the proposed NN architecture significantly improves navigation performance.  ( 2 min )

Subsampling is an important technique to tackle the computational challenges brought by big data. Many subsampling procedures fall within the framework of importance sampling, which assigns high sampling probabilities to the samples appearing to have big impacts. When the noise level is high, those sampling procedures tend to pick many outliers and thus often do not perform satisfactorily in practice. To tackle this issue, we design a new Markov subsampling strategy based on Huber criterion (HMS) to construct an informative subset from the noisy full data; the constructed subset then serves as a refined working data for efficient processing. HMS is built upon a Metropolis-Hasting procedure, where the inclusion probability of each sampling unit is determined using the Huber criterion to prevent over scoring the outliers. Under mild conditions, we show that the estimator based on the subsamples selected by HMS is statistically consistent with a sub-Gaussian deviation bound. The promising performance of HMS is demonstrated by extensive studies on large scale simulations and real data examples.  ( 2 min )

We introduce OLIVAW, an AI Othello player adopting the design principles of the famous AlphaGo programs. The main motivation behind OLIVAW was to attain exceptional competence in a non-trivial board game at a tiny fraction of the cost of its illustrious predecessors. In this paper, we show how the AlphaGo Zero's paradigm can be successfully applied to the popular game of Othello using only commodity hardware and free cloud services. While being simpler than Chess or Go, Othello maintains a considerable search space and difficulty in evaluating board positions. To achieve this result, OLIVAW implements some improvements inspired by recent works to accelerate the standard AlphaGo Zero learning process. The main modification implies doubling the positions collected per game during the training phase, by including also positions not played but largely explored by the agent. We tested the strength of OLIVAW in three different ways: by pitting it against Edax, the strongest open-source Othello engine, by playing anonymous games on the web platform OthelloQuest, and finally in two in-person matches against top-notch human players: a national champion and a former world champion.  ( 2 min )

Guaranteeing safety of perception-based learning systems is challenging due to the absence of ground-truth state information unlike in state-aware control scenarios. In this paper, we introduce a safety guaranteed learning framework for vision-based end-to-end autonomous driving. To this end, we design a learning system equipped with differentiable control barrier functions (dCBFs) that is trained end-to-end by gradient descent. Our models are composed of conventional neural network architectures and dCBFs. They are interpretable at scale, achieve great test performance under limited training data, and are safety guaranteed in a series of autonomous driving scenarios such as lane keeping and obstacle avoidance. We evaluated our framework in a sim-to-real environment, and tested on a real autonomous car, achieving safe lane following and obstacle avoidance via Augmented Reality (AR) and real parked vehicles.  ( 2 min )

Federated learning (FL) has recently emerged as a promising technology to enable artificial intelligence (AI) at the network edge, where distributed mobile devices collaboratively train a shared AI model under the coordination of an edge server. To significantly improve the communication efficiency of FL, over-the-air computation allows a large number of mobile devices to concurrently upload their local models by exploiting the superposition property of wireless multi-access channels. Due to wireless channel fading, the model aggregation error at the edge server is dominated by the weakest channel among all devices, causing severe straggler issues. In this paper, we propose a relay-assisted cooperative FL scheme to effectively address the straggler issue. In particular, we deploy multiple half-duplex relays to cooperatively assist the devices in uploading the local model updates to the edge server. The nature of the over-the-air computation poses system objectives and constraints that are distinct from those in traditional relay communication systems. Moreover, the strong coupling between the design variables renders the optimization of such a system challenging. To tackle the issue, we propose an alternating-optimization-based algorithm to optimize the transceiver and relay operation with low complexity. Then, we analyze the model aggregation error in a single-relay case and show that our relay-assisted scheme achieves a smaller error than the one without relays provided that the relay transmit power and the relay channel gains are sufficiently large. The analysis provides critical insights on relay deployment in the implementation of cooperative FL. Extensive numerical results show that our design achieves faster convergence compared with state-of-the-art schemes.  ( 3 min )

Probabilistic circuits (PCs) are a class of tractable probabilistic models that allow efficient, often linear-time, inference of queries such as marginals and most probable explanations (MPE). However, marginal MAP, which is central to many decision-making problems, remains a hard query for PCs unless they satisfy highly restrictive structural constraints. In this paper, we develop a pruning algorithm that removes parts of the PC that are irrelevant to a marginal MAP query, shrinking the PC while maintaining the correct solution. This pruning technique is so effective that we are able to build a marginal MAP solver based solely on iteratively transforming the circuit -- no search is required. We empirically demonstrate the efficacy of our approach on real-world datasets.  ( 2 min )

In recent text-to-speech synthesis and voice conversion systems, a mel-spectrogram is commonly applied as an intermediate representation, and the necessity for a mel-spectrogram vocoder is increasing. A mel-spectrogram vocoder must solve three inverse problems: recovery of the original-scale magnitude spectrogram, phase reconstruction, and frequency-to-time conversion. A typical convolutional mel-spectrogram vocoder solves these problems jointly and implicitly using a convolutional neural network, including temporal upsampling layers, when directly calculating a raw waveform. Such an approach allows skipping redundant processes during waveform synthesis (e.g., the direct reconstruction of high-dimensional original-scale spectrograms). By contrast, the approach solves all problems in a black box and cannot effectively employ the time-frequency structures existing in a mel-spectrogram. We thus propose iSTFTNet, which replaces some output-side layers of the mel-spectrogram vocoder with the inverse short-time Fourier transform (iSTFT) after sufficiently reducing the frequency dimension using upsampling layers, reducing the computational cost from black-box modeling and avoiding redundant estimations of high-dimensional spectrograms. During our experiments, we applied our ideas to three HiFi-GAN variants and made the models faster and more lightweight with a reasonable speech quality. Audio samples are available at https://www.kecl.ntt.co.jp/people/kaneko.takuhiro/projects/istftnet/.  ( 2 min )

Light-weight convolutional neural networks (CNNs) are the de-facto for mobile vision tasks. Their spatial inductive biases allow them to learn representations with fewer parameters across different vision tasks. However, these networks are spatially local. To learn global representations, self-attention-based vision trans-formers (ViTs) have been adopted. Unlike CNNs, ViTs are heavy-weight. In this paper, we ask the following question: is it possible to combine the strengths of CNNs and ViTs to build a light-weight and low latency network for mobile vision tasks? Towards this end, we introduce MobileViT, a light-weight and general-purpose vision transformer for mobile devices. MobileViT presents a different perspective for the global processing of information with transformers, i.e., transformers as convolutions. Our results show that MobileViT significantly outperforms CNN- and ViT-based networks across different tasks and datasets. On the ImageNet-1k dataset, MobileViT achieves top-1 accuracy of 78.4% with about 6 million parameters, which is 3.2% and 6.2% more accurate than MobileNetv3 (CNN-based) and DeIT (ViT-based) for a similar number of parameters. On the MS-COCO object detection task, MobileViT is 5.7% more accurate than MobileNetv3 for a similar number of parameters. Our source code is open-source and available at: https://github.com/apple/ml-cvnets  ( 2 min )

In applications such as rank aggregation, mixture models for permutations are frequently used when the population exhibits heterogeneity. In this work, we study the widely used Mallows mixture model. In the high-dimensional setting, we propose a polynomial-time algorithm that learns a Mallows mixture of permutations on $n$ elements with the optimal sample complexity that is proportional to $\log n$, improving upon previous results that scale polynomially with $n$. In the high-noise regime, we characterize the optimal dependency of the sample complexity on the noise parameter. Both objectives are accomplished by first studying demixing permutations under a noiseless query model using groups of pairwise comparisons, which can be viewed as moments of the mixing distribution, and then extending these results to the noisy Mallows model by simulating the noiseless oracle.  ( 2 min )

In this work, we conduct the first systematic study of stochastic variational inequality (SVI) and stochastic saddle point (SSP) problems under the constraint of differential privacy-(DP). We propose two algorithms: Noisy Stochastic Extragradient (NSEG) and Noisy Inexact Stochastic Proximal Point (NISPP). We show that sampling with replacement variants of these algorithms attain the optimal risk for DP-SVI and DP-SSP. Key to our analysis is the investigation of algorithmic stability bounds, both of which are new even in the nonprivate case, together with a novel "stability implies generalization" result for the gap functions for SVI and SSP problems. The dependence of the running time of these algorithms, with respect to the dataset size $n$, is $n^2$ for NSEG and $\widetilde{O}(n^{3/2})$ for NISPP.  ( 2 min )

Centroid based clustering methods such as k-means, k-medoids and k-centers are heavily applied as a go-to tool in exploratory data analysis. In many cases, those methods are used to obtain representative centroids of the data manifold for visualization or summarization of a dataset. Real world datasets often contain inherent abnormalities, e.g., repeated samples and sampling bias, that manifest imbalanced clustering. We propose to remedy such a scenario by introducing a maximal radius constraint $r$ on the clusters formed by the centroids, i.e., samples from the same cluster should not be more than $2r$ apart in terms of $\ell_2$ distance. We achieve this constraint by solving a semi-definite program, followed by a linear assignment problem with quadratic constraints. Through qualitative results, we show that our proposed method is robust towards dataset imbalances and sampling artifacts. To the best of our knowledge, ours is the first constrained k-means clustering method with hard radius constraints. Codes at https://bit.ly/kmeans-constrained  ( 2 min )

Given a stream of entries over time in a multi-dimensional data setting where concept drift is present, how can we detect anomalous activities? Most of the existing unsupervised anomaly detection approaches seek to detect anomalous events in an offline fashion and require a large amount of data for training. This is not practical in real-life scenarios where we receive the data in a streaming manner and do not know the size of the stream beforehand. Thus, we need a data-efficient method that can detect and adapt to changing data trends, or concept drift, in an online manner. In this work, we propose MemStream, a streaming anomaly detection framework, allowing us to detect unusual events as they occur while being resilient to concept drift. We leverage the power of a denoising autoencoder to learn representations and a memory module to learn the dynamically changing trend in data without the need for labels. We prove the optimum memory size required for effective drift handling. Furthermore, MemStream makes use of two architecture design choices to be robust to memory poisoning. Experimental results show the effectiveness of our approach compared to state-of-the-art streaming baselines using $2$ synthetic datasets and $11$ real-world datasets.  ( 2 min )

Understanding generalization in modern machine learning settings has been one of the major challenges in statistical learning theory. In this context, recent years have witnessed the development of various generalization bounds suggesting different complexity notions such as the mutual information between the data sample and the algorithm output, compressibility of the hypothesis space, and the fractal dimension of the hypothesis space. While these bounds have illuminated the problem at hand from different angles, their suggested complexity notions might appear seemingly unrelated, thereby restricting their high-level impact. In this study, we prove novel generalization bounds through the lens of rate-distortion theory, and explicitly relate the concepts of mutual information, compressibility, and fractal dimensions in a single mathematical framework. Our approach consists of (i) defining a generalized notion of compressibility by using source coding concepts, and (ii) showing that the `compression error rate' can be linked to the generalization error both in expectation and with high probability. We show that in the `lossless compression' setting, we recover and improve existing mutual information-based bounds, whereas a `lossy compression' scheme allows us to link generalization to the rate-distortion dimension -- a particular notion of fractal dimension. Our results bring a more unified perspective on generalization and open up several future research directions.  ( 2 min )

RGB cameras are one of the most relevant sensors for autonomous driving applications. It is undeniable that failures of vehicle cameras may compromise the autonomous driving task, possibly leading to unsafe behaviors when images that are subsequently processed by the driving system are altered. To support the definition of safe and robust vehicle architectures and intelligent systems, in this paper we define the failure modes of a vehicle camera, together with an analysis of effects and known mitigations. Further, we build a software library for the generation of the corresponding failed images and we feed them to six object detectors for mono and stereo cameras and to the self-driving agent of an autonomous driving simulator. The resulting misbehaviors with respect to operating with clean images allow a better understanding of failures effects and the related safety risks in image-based applications.  ( 2 min )

Designing a distribution of environments in which RL agents can learn interesting and useful skills is a challenging and poorly understood task, for multi-agent environments the difficulties are only exacerbated. One approach is to train a second RL agent, called a teacher, who samples environments that are conducive for the learning of student agents. However, most previous proposals for teacher rewards do not generalize straightforwardly to the multi-agent setting. We examine a set of intrinsic teacher rewards derived from prediction problems that can be applied in multi-agent settings and evaluate them in Mujoco tasks such as multi-agent Hide and Seek as well as a diagnostic single-agent maze task. Of the intrinsic rewards considered we found value disagreement to be most consistent across tasks, leading to faster and more reliable emergence of advanced skills in Hide and Seek and the maze task. Another candidate intrinsic reward considered, value prediction error, also worked well in Hide and Seek but was susceptible to noisy-TV style distractions in stochastic environments. Policy disagreement performed well in the maze task but did not speed up learning in Hide and Seek. Our results suggest that intrinsic teacher rewards, and in particular value disagreement, are a promising approach for automating both single and multi-agent environment design.  ( 2 min )

We introduce the novel task of detecting sustainability initiatives in company reports. Given a full report, the aim is to automatically identify mentions of practical activities that a company has performed in order to tackle specific societal issues. New methods for identifying continuous sentence spans need to be developed for capturing the multi-sentence structure of individual sustainability initiatives. We release a new dataset of company reports in which the text has been manually annotated with sustainability initiatives. We also evaluate different models for initiative detection, introducing a novel aggregation and evaluation methodology. Our proposed architecture uses sequences of consecutive sentences to account for contextual information when making classification decisions at the individual sentence level.

Meta-learning (ML) has emerged as a promising direction in learning models under constrained resource settings like few-shot learning. The popular approaches for ML either learn a generalizable initial model or a generic parametric optimizer through episodic training. The former approaches leverage the knowledge from a batch of tasks to learn an optimal prior. In this work, we study the importance of a batch for ML. Specifically, we first incorporate a batch episodic training regimen to improve the learning of the generic parametric optimizer. We also hypothesize that the common assumption in batch episodic training that each task in a batch has an equal contribution to learning an optimal meta-model need not be true. We propose to weight the tasks in a batch according to their "importance" in improving the meta-model's learning. To this end, we introduce a training curriculum motivated by selective focus in humans, called task attended meta-training, to weight the tasks in a batch. Task attention is a standalone module that can be integrated with any batch episodic training regimen. The comparisons of the models with their non-task-attended counterparts on complex datasets like miniImageNet and tieredImageNet validate its effectiveness.

Helmholtz Machines (HMs) are a class of generative models composed of two Sigmoid Belief Networks (SBNs), acting as an encoder and a decoder. These models are commonly trained using a two-step optimization algorithm called Wake-Sleep (WS) and more recently by improved versions, such as the Reweighted Wake-Sleep (RWS) and Bidirectional Helmholtz Machines (BiHM). The locality of the connections in a SBN induces sparsity in the Fisher information matrix associated to the model, in the form of a finely-grained block-diagonal structure. In this paper we exploit this property to efficiently train SBNs and HMs using the natural gradient. We present a novel algorithm called Natural Reweighted Wake-Sleep (NRWS), which corresponds to a geometric adaptation of the Reweighted Wake-Sleep, where, differently from most of the previous work, the natural gradient is computed without the need of introducing any approximation of the structure of the Fisher Information Matrix. The experiments performed on standard datasets from the literature show a consistent improvement of NRWS not only with respect to its non-geometric baseline but also with respect to state-of-the-art training algorithms for HMs. The improvement is quantified both in terms of speed of convergence as well as value of the log-likelihood reached after training.

This paper investigates the optimal signal detection problem with a particular interest in large-scale multiple-input multiple-output (MIMO) systems. The problem is NP-hard and can be solved optimally by searching the shortest path on the decision tree. Unfortunately, the existing optimal search algorithms often involve prohibitively high complexities, which indicates that they are infeasible in large-scale MIMO systems. To address this issue, we propose a general heuristic search algorithm, namely, hyper-accelerated tree search (HATS) algorithm. The proposed algorithm employs a deep neural network (DNN) to estimate the optimal heuristic, and then use the estimated heuristic to speed up the underlying memory-bounded search algorithm. This idea is inspired by the fact that the underlying heuristic search algorithm reaches the optimal efficiency with the optimal heuristic function. Simulation results show that the proposed algorithm reaches almost the optimal bit error rate (BER) performance in large-scale systems, while the memory size can be bounded. In the meanwhile, it visits nearly the fewest tree nodes. This indicates that the proposed algorithm reaches almost the optimal efficiency in practical scenarios, and thereby it is applicable for large-scale systems. Besides, the code for this paper is available at \url{https://github.com/skypitcher/hats}.

Van Rooyen et al. introduced a notion of convex loss functions being robust to random classification noise, and established that the "unhinged" loss function is robust in this sense. In this note we study the accuracy of binary classifiers obtained by minimizing the unhinged loss, and observe that even for simple linearly separable data distributions, minimizing the unhinged loss may only yield a binary classifier with accuracy no better than random guessing.

Learning from label proportions (LLP) is a weakly supervised classification problem where data points are grouped into bags, and the label proportions within each bag are observed instead of the instance-level labels. The task is to learn a classifier to predict the individual labels of future individual instances. Prior work on LLP for multi-class data has yet to develop a theoretically grounded algorithm. In this work, we provide a theoretically grounded approach to LLP based on a reduction to learning with label noise, using the forward correction (FC) loss of \citet{Patrini2017MakingDN}. We establish an excess risk bound and generalization error analysis for our approach, while also extending the theory of the FC loss which may be of independent interest. Our approach demonstrates improved empirical performance in deep learning scenarios across multiple datasets and architectures, compared to the leading existing methods.

Machine learning (ML) has made tremendous progress during the past decade and is being adopted in various critical real-world applications. However, recent research has shown that ML models are vulnerable to multiple security and privacy attacks. In particular, backdoor attacks against ML models have recently raised a lot of awareness. A successful backdoor attack can cause severe consequences, such as allowing an adversary to bypass critical authentication systems. Current backdooring techniques rely on adding static triggers (with fixed patterns and locations) on ML model inputs which are prone to detection by the current backdoor detection mechanisms. In this paper, we propose the first class of dynamic backdooring techniques against deep neural networks (DNN), namely Random Backdoor, Backdoor Generating Network (BaN), and conditional Backdoor Generating Network (c-BaN). Triggers generated by our techniques can have random patterns and locations, which reduce the efficacy of the current backdoor detection mechanisms. In particular, BaN and c-BaN based on a novel generative network are the first two schemes that algorithmically generate triggers. Moreover, c-BaN is the first conditional backdooring technique that given a target label, it can generate a target-specific trigger. Both BaN and c-BaN are essentially a general framework which renders the adversary the flexibility for further customizing backdoor attacks. We extensively evaluate our techniques on three benchmark datasets: MNIST, CelebA, and CIFAR-10. Our techniques achieve almost perfect attack performance on backdoored data with a negligible utility loss. We further show that our techniques can bypass current state-of-the-art defense mechanisms against backdoor attacks, including ABS, Februus, MNTD, Neural Cleanse, and STRIP.

The inception of Relational Graph Convolutional Networks (R-GCNs) marked a milestone in the Semantic Web domain as it allows for end-to-end training of machine learning models that operate on Knowledge Graphs (KGs). R-GCNs generate a representation for a node of interest by repeatedly aggregating parametrised, relation-specific transformations of its neighbours. However, in this paper, we argue that the the R-GCN's main contribution lies in this "message passing" paradigm, rather than the learned parameters. To this end, we introduce the "Random Relational Graph Convolutional Network" (RR-GCN), which constructs embeddings for nodes in the KG by aggregating randomly transformed random information from neigbours, i.e., with no learned parameters. We empirically show that RR-GCNs can compete with fully trained R-GCNs in both node classification and link prediction settings. The implications of these results are two-fold: on the one hand, our technique can be used as a quick baseline that novel KG embedding methods should be able to beat. On the other hand, it demonstrates that further research might reveal more parameter-efficient inductive biases for KGs.  ( 2 min )

In this work we address the problem of solving ill-posed inverse problems in imaging where the prior is a variational autoencoder (VAE). Specifically we consider the decoupled case where the prior is trained once and can be reused for many different log-concave degradation models without retraining. Whereas previous MAP-based approaches to this problem lead to highly non-convex optimization algorithms, our approach computes the joint (space-latent) MAP that naturally leads to alternate optimization algorithms and to the use of a stochastic encoder to accelerate computations. The resulting technique (JPMAP) performs Joint Posterior Maximization using an Autoencoding Prior. We show theoretical and experimental evidence that the proposed objective function is quite close to bi-convex. Indeed it satisfies a weak bi-convexity property which is sufficient to guarantee that our optimization scheme converges to a stationary point. We also highlight the importance of correctly training the VAE using a denoising criterion, in order to ensure that the encoder generalizes well to out-of-distribution images, without affecting the quality of the generative model. This simple modification is key to providing robustness to the whole procedure. Finally we show how our joint MAP methodology relates to more common MAP approaches, and we propose a continuation scheme that makes use of our JPMAP algorithm to provide more robust MAP estimates. Experimental results also show the higher quality of the solutions obtained by our JPMAP approach with respect to other non-convex MAP approaches which more often get stuck in spurious local optima.

In this paper, we present a physics-constrained deep neural network (PCDNN) method for parameter estimation in the zero-dimensional (0D) model of the vanadium redox flow battery (VRFB). In this approach, we use deep neural networks (DNNs) to approximate the model parameters as functions of the operating conditions. This method allows the integration of the VRFB computational models as the physical constraints in the parameter learning process, leading to enhanced accuracy of parameter estimation and cell voltage prediction. Using an experimental dataset, we demonstrate that the PCDNN method can estimate model parameters for a range of operating conditions and improve the 0D model prediction of voltage compared to the 0D model prediction with constant operation-condition-independent parameters estimated with traditional inverse methods. We also demonstrate that the PCDNN approach has an improved generalization ability for estimating parameter values for operating conditions not used in the DNN training.

Sampling and Variational Inference (VI) are two large families of methods for approximate inference that have complementary strengths. Sampling methods excel at approximating arbitrary probability distributions, but can be inefficient. VI methods are efficient, but may misrepresent the true distribution. Here, we develop a general framework where approximations are stochastic mixtures of simple component distributions. Both sampling and VI can be seen as special cases: in sampling, each mixture component is a delta-function and is chosen stochastically, while in standard VI a single component is chosen to minimize divergence. We derive a practical method that interpolates between sampling and VI by solving an optimization problem over a mixing distribution. Intermediate inference methods then arise by varying a single parameter. Our method provably improves on sampling (reducing variance) and on VI (reducing bias+variance despite increasing variance). We demonstrate our method's bias/variance trade-off in practice on reference problems, and we compare outcomes to commonly used sampling and VI methods. This work takes a step towards a highly flexible yet simple family of inference methods that combines the complementary strengths of sampling and VI.

We propose a method called integrated diffusion for combining multimodal datasets, or data gathered via several different measurements on the same system, to create a joint data diffusion operator. As real world data suffers from both local and global noise, we introduce mechanisms to optimally calculate a diffusion operator that reflects the combined information from both modalities. We show the utility of this joint operator in data denoising, visualization and clustering, performing better than other methods to integrate and analyze multimodal data. We apply our method to multi-omic data generated from blood cells, measuring both gene expression and chromatin accessibility. Our approach better visualizes the geometry of the joint data, captures known cross-modality associations and identifies known cellular populations. More generally, integrated diffusion is broadly applicable to multimodal datasets generated in many medical and biological systems.

Exploration remains a central challenge for reinforcement learning (RL). Virtually all existing methods share the feature of a monolithic behaviour policy that changes only gradually (at best). In contrast, the exploratory behaviours of animals and humans exhibit a rich diversity, namely including forms of switching between modes. This paper presents an initial study of mode-switching, non-monolithic exploration for RL. We investigate different modes to switch between, at what timescales it makes sense to switch, and what signals make for good switching triggers. We also propose practical algorithmic components that make the switching mechanism adaptive and robust, which enables flexibility without an accompanying hyper-parameter-tuning burden. Finally, we report a promising and detailed analysis on Atari, using two-mode exploration and switching at sub-episodic time-scales.

The electrocardiogram (ECG) records electrical signals in a non-invasive way to observe the condition of the heart, typically looking at the heart from 12 different directions. Several types of the cardiac disease are diagnosed by using 12-lead ECGs Recently, various wearable devices have enabled immediate access to the ECG without the use of wieldy equipment. However, they only provide ECGs with a couple of leads. This results in an inaccurate diagnosis of cardiac disease due to lacking of required leads. We propose a deep generative model for ECG synthesis from two asynchronous leads to ten leads. It first represents a heart condition referring to two leads, and then generates ten leads based on the represented heart condition. Both the rhythm and amplitude of leads generated resemble those of the original ones, while the technique removes noise and the baseline wander appearing in the original leads. As a data augmentation method, our model improves the classification performance of models compared with models using ECGs with only one or two leads.

Personalized treatment decisions have become an integral part of modern medicine. Thereby, the aim is to make treatment decisions based on individual patient characteristics. Numerous methods have been developed for learning such policies from observational data that achieve the best outcome across a certain policy class. Yet these methods are rarely interpretable. However, interpretability is often a prerequisite for policy learning in clinical practice. In this paper, we propose an algorithm for interpretable off-policy learning via hyperbox search. In particular, our policies can be represented in disjunctive normal form (i.e., OR-of-ANDs) and are thus intelligible. We prove a universal approximation theorem that shows that our policy class is flexible enough to approximate any measurable function arbitrarily well. For optimization, we develop a tailored column generation procedure within a branch-and-bound framework. Using a simulation study, we demonstrate that our algorithm outperforms state-of-the-art methods from interpretable off-policy learning in terms of regret. Using real-word clinical data, we perform a user study with actual clinical experts, who rate our policies as highly interpretable.

Automating arrhythmia detection from ECG requires a robust and trusted system that retains high accuracy under electrical disturbances. Many machine learning approaches have reached human-level performance in classifying arrhythmia from ECGs. However, these architectures are vulnerable to adversarial attacks, which can misclassify ECG signals by decreasing the model's accuracy. Adversarial attacks are small crafted perturbations injected in the original data which manifest the out-of-distribution shifts in signal to misclassify the correct class. Thus, security concerns arise for false hospitalization and insurance fraud abusing these perturbations. To mitigate this problem, we introduce a novel Conditional Generative Adversarial Network (GAN), robust against adversarial attacked ECG signals and retaining high accuracy. Our architecture integrates a new class-weighted objective function for adversarial perturbation identification and two novel blocks for discerning and combining out-of-distribution shifts in signals in the learning process for accurately classifying various arrhythmia types. Furthermore, we benchmark our architecture on six different white and black-box attacks and compare with other recently proposed arrhythmia classification models on two publicly available ECG arrhythmia datasets. The experiment confirms that our model is more robust against such adversarial attacks for classifying arrhythmia with high accuracy.

DETR is the first end-to-end object detector using a transformer encoder-decoder architecture and demonstrates competitive performance but low computational efficiency on high resolution feature maps. The subsequent work, Deformable DETR, enhances the efficiency of DETR by replacing dense attention with deformable attention, which achieves 10x faster convergence and improved performance. Deformable DETR uses the multiscale feature to ameliorate performance, however, the number of encoder tokens increases by 20x compared to DETR, and the computation cost of the encoder attention remains a bottleneck. In our preliminary experiment, we observe that the detection performance hardly deteriorates even if only a part of the encoder token is updated. Inspired by this observation, we propose Sparse DETR that selectively updates only the tokens expected to be referenced by the decoder, thus help the model effectively detect objects. In addition, we show that applying an auxiliary detection loss on the selected tokens in the encoder improves the performance while minimizing computational overhead. We validate that Sparse DETR achieves better performance than Deformable DETR even with only 10% encoder tokens on the COCO dataset. Albeit only the encoder tokens are sparsified, the total computation cost decreases by 38% and the frames per second (FPS) increases by 42% compared to Deformable DETR. Code is available at https://github.com/kakaobrain/sparse-detr

Recently, it has been observed that a transfer learning solution might be all we need to solve many few-shot learning benchmarks -- thus raising important questions about when and how meta-learning algorithms should be deployed. In this paper, we seek to clarify these questions by proposing a novel metric -- the diversity coefficient -- to measure the diversity of tasks in a few-shot learning benchmark. We hypothesize that the diversity coefficient of the few-shot learning benchmark is predictive of whether meta-learning solutions will succeed or not. Using the diversity coefficient, we show that the MiniImagenet benchmark has zero diversity. This novel insight contextualizes claims that transfer learning solutions are better than meta-learned solutions. Specifically, we empirically find that a diversity coefficient of zero correlates with a high similarity between transfer learning and Model-Agnostic Meta-Learning (MAML) learned solutions in terms of meta-accuracy (at meta-test time). Therefore, we conjecture meta-learned solutions have the same meta-test performance as transfer learning when the diversity coefficient is zero. Our work provides the first test of whether diversity correlates with meta-learning success.

Nowadays the emerging smart grid technology opens up the possibility of two-way communication between customers and energy utilities. Demand Response Management (DRM) offers the promise of saving money for commercial customers and households while helps utilities operate more efficiently. In this paper, an Incentive-based Demand Response Optimization (IDRO) model is proposed to efficiently schedule household appliances for minimum usage during peak hours. The proposed method is a multi-objective optimization technique based on Nonlinear Auto-Regressive Neural Network (NAR-NN) which considers energy provided by the utility and rooftop installed photovoltaic (PV) system. The proposed method is tested and verified using 300 case studies (household). Data analysis for a period of one year shows a noticeable improvement in power factor and customers bill.

State-of-the-art stereo matching networks trained only on synthetic data often fail to generalize to more challenging real data domains. In this paper, we attempt to unfold an important factor that hinders the networks from generalizing across domains: through the lens of shortcut learning. We demonstrate that the learning of feature representations in stereo matching networks is heavily influenced by synthetic data artefacts (shortcut attributes). To mitigate this issue, we propose an Information-Theoretic Shortcut Avoidance~(ITSA) approach to automatically restrict shortcut-related information from being encoded into the feature representations. As a result, our proposed method learns robust and shortcut-invariant features by minimizing the sensitivity of latent features to input variations. To avoid the prohibitive computational cost of direct input sensitivity optimization, we propose an effective yet feasible algorithm to achieve robustness. We show that using this method, state-of-the-art stereo matching networks that are trained purely on synthetic data can effectively generalize to challenging and previously unseen real data scenarios. Importantly, the proposed method enhances the robustness of the synthetic trained networks to the point that they outperform their fine-tuned counterparts (on real data) for challenging out-of-domain stereo datasets.

Deep convolutional neural networks (CNNs) are broadly considered to be state-of-the-art generic end-to-end image classification systems. However, they are known to underperform when training data are limited and thus require data augmentation strategies that render the method computationally expensive and not always effective. Rather than using a data augmentation strategy to encode invariances as typically done in machine learning, here we propose to mathematically augment a nearest subspace classification model in sliced-Wasserstein space by exploiting certain mathematical properties of the Radon Cumulative Distribution Transform (R-CDT), a recently introduced image transform. We demonstrate that for a particular type of learning problem, our mathematical solution has advantages over data augmentation with deep CNNs in terms of classification accuracy and computational complexity, and is particularly effective under a limited training data setting. The method is simple, effective, computationally efficient, non-iterative, and requires no parameters to be tuned. Python code implementing our method is available at https://github.com/rohdelab/mathematical_augmentation. Our method is integrated as a part of the software package PyTransKit, which is available at https://github.com/rohdelab/PyTransKit.

Combinatorial optimization is a well-established area in operations research and computer science. Until recently, its methods have focused on solving problem instances in isolation, ignoring that they often stem from related data distributions in practice. However, recent years have seen a surge of interest in using machine learning as a new approach for solving combinatorial problems, either directly as solvers or by enhancing exact solvers. Based on this context, the ML4CO aims at improving state-of-the-art combinatorial optimization solvers by replacing key heuristic components. The competition featured three challenging tasks: finding the best feasible solution, producing the tightest optimality certificate, and giving an appropriate solver configuration. Three realistic datasets were considered: balanced item placement, workload apportionment, and maritime inventory routing. This last dataset was kept anonymous for the contestants.

Forecasting pedestrians' future motions is essential for autonomous driving systems to safely navigate in urban areas. However, existing prediction algorithms often overly rely on past observed trajectories and tend to fail around abrupt dynamic changes, such as when pedestrians suddenly start or stop walking. We suggest that predicting these highly non-linear transitions should form a core component to improve the robustness of motion prediction algorithms. In this paper, we introduce the new task of pedestrian stop and go forecasting. Considering the lack of suitable existing datasets for it, we release TRANS, a benchmark for explicitly studying the stop and go behaviors of pedestrians in urban traffic. We build it from several existing datasets annotated with pedestrians' walking motions, in order to have various scenarios and behaviors. We also propose a novel hybrid model that leverages pedestrian-specific and scene features from several modalities, both video sequences and high-level attributes, and gradually fuses them to integrate multiple levels of context. We evaluate our model and several baselines on TRANS, and set a new benchmark for the community to work on pedestrian stop and go forecasting.  ( 2 min )

Model-agnostic meta-learning (MAML) is one of the most popular and widely adopted meta-learning algorithms, achieving remarkable success in various learning problems. Yet, with the unique design of nested inner-loop and outer-loop updates, which govern the task-specific and meta-model-centric learning, respectively, the underlying learning objective of MAML remains implicit and thus impedes a more straightforward understanding of it. In this paper, we provide a new perspective of the working mechanism of MAML. We discover that MAML is analogous to a meta-learner using a supervised contrastive objective. The query features are pulled towards the support features of the same class and against those of different classes. Such contrastiveness is experimentally verified via an analysis based on the cosine similarity. Moreover, we reveal that vanilla MAML has an undesirable interference term originating from the random initialization and the cross-task interaction. We thus propose a simple but effective technique, zeroing trick, to alleviate the interference. Extensive experiments are conducted on both mini-ImageNet and Omniglot datasets to demonstrate the consistent improvement brought by our proposed method, validating its effectiveness.  ( 2 min )

In many object recognition applications, the set of possible categories is an open set, and the deployed recognition system will encounter novel objects belonging to categories unseen during training. Detecting such "novel category" objects is usually formulated as an anomaly detection problem. Anomaly detection algorithms for feature-vector data identify anomalies as outliers, but outlier detection has not worked well in deep learning. Instead, methods based on the computed logits of visual object classifiers give state-of-the-art performance. This paper proposes the Familiarity Hypothesis that these methods succeed because they are detecting the absence of familiar learned features rather than the presence of novelty. The paper reviews evidence from the literature and presents additional evidence from our own experiments that provide strong support for this hypothesis. The paper concludes with a discussion of whether familiarity detection is an inevitable consequence of representation learning.  ( 2 min )

This paper proposes a new method to estimate behavioural curves from a stream of Near-Infra-Red (NIR) iris video frames. This method can be used in a Fitness For Duty system (FFD). The research focuses on determining the effect of external factors such as alcohol, drugs, and sleepiness on the Central Nervous System (CNS). The aim is to analyse how this behaviour is represented on iris and pupil movements and if it is possible to capture these changes with a standard NIR camera. The behaviour analysis showed essential differences in pupil and iris behaviour to classify the workers in "Fit" or "Unfit" conditions. The best results can distinguish subjects robustly under alcohol, drug consumption, and sleep conditions. The Multi-Layer-Perceptron and Gradient Boosted Machine reached the best results in all groups with an overall accuracy for Fit and Unfit classes of 74.0% and 75.5%, respectively. These results open a new application for iris capture devices.  ( 2 min )

As an algorithm based on deep reinforcement learning, Proximal Policy Optimization (PPO) performs well in many complex tasks and has become one of the most popular RL algorithms in recent years. According to the mechanism of penalty in surrogate objective, PPO can be divided into PPO with KL Divergence (KL-PPO) and PPO with Clip function(Clip-PPO). Clip-PPO is widely used in a variety of practical scenarios and has attracted the attention of many researchers. Therefore, many variations have also been created, making the algorithm better and better. However, as a more theoretical algorithm, KL-PPO was neglected because its performance was not as good as CliP-PPO. In this article, we analyze the asymmetry effect of KL divergence on PPO's objective function , and give the inequality that can indicate when the asymmetry will affect the efficiency of KL-PPO. Proposed PPO with Correntropy Induced Metric algorithm(CIM-PPO) that use the theory of correntropy(a symmetry metric method that was widely used in M-estimation to evaluate two distributions' difference)and applied it in PPO. Then, we designed experiments based on OpenAIgym to test the effectiveness of the new algorithm and compare it with KL-PPO and CliP-PPO.

Effective, robust, and automatic tools for brain tumor segmentation are needed for the extraction of information useful in treatment planning from magnetic resonance (MR) images. Context-aware artificial intelligence is an emerging concept for the development of deep learning applications for computer-aided medical image analysis. In this work, it is investigated whether the addition of contextual information from the brain anatomy in the form of white matter, gray matter, and cerebrospinal fluid masks and probability maps improves U-Net-based brain tumor segmentation. The BraTS2020 dataset was used to train and test two standard 3D U-Net models that, in addition to the conventional MR image modalities, used the anatomical contextual information as extra channels in the form of binary masks (CIM) or probability maps (CIP). A baseline model (BLM) that only used the conventional MR image modalities was also trained. The impact of adding contextual information was investigated in terms of overall segmentation accuracy, model training time, domain generalization, and compensation for fewer MR modalities available for each subject. Results show that there is no statistically significant difference when comparing Dice scores between the baseline model and the contextual information models, even when comparing performances for high- and low-grade tumors independently. Only in the case of compensation for fewer MR modalities available for each subject did the addition of anatomical contextual information significantly improve the segmentation of the whole tumor. Overall, there is no overall significant improvement in segmentation performance when using anatomical contextual information in the form of either binary masks or probability maps as extra channels.

Modeling complex physical dynamics is a fundamental task in science and engineering. Traditional physics-based models are sample efficient, interpretable but often rely on rigid assumptions. Furthermore, direct numerical approximation is usually computationally intensive, requiring significant computational resources and expertise. While deep learning (DL) provides novel alternatives for efficiently recognizing complex patterns and emulating nonlinear dynamics, its predictions do not necessarily obey the governing laws of physical systems, nor do they generalize well across different systems. Thus, the study of physics-guided DL emerged and has gained great progress. Physics-guided DL aims to take the best from both physics-based modeling and state-of-the-art DL models to better solve scientific problems. In this paper, we provide a structured overview of existing methodologies of integrating prior physical knowledge or physics-based modeling into DL, with a special emphasis on learning dynamical systems. We also discuss the fundamental challenges and emerging opportunities in the area.

Since most machine learning (ML) algorithms are designed for numerical inputs, efficiently encoding categorical variables is a crucial aspect in data analysis. A common problem are high cardinality features, i.e. unordered categorical predictor variables with a high number of levels. We study techniques that yield numeric representations of categorical variables which can then be used in subsequent ML applications. We focus on the impact of these techniques on a subsequent algorithm's predictive performance, and -- if possible -- derive best practices on when to use which technique. We conducted a large-scale benchmark experiment, where we compared different encoding strategies together with five ML algorithms (lasso, random forest, gradient boosting, k-nearest neighbors, support vector machine) using datasets from regression, binary- and multiclass- classification settings. In our study, regularized versions of target encoding (i.e. using target predictions based on the feature levels in the training set as a new numerical feature) consistently provided the best results. Traditionally widely used encodings that make unreasonable assumptions to map levels to integers (e.g. integer encoding) or to reduce the number of levels (possibly based on target information, e.g. leaf encoding) before creating binary indicator variables (one-hot or dummy encoding) were not as effective in comparison.

Learning a disentangled, interpretable, and structured latent representation in 3D generative models of faces and bodies is still an open problem. The problem is particularly acute when control over identity features is required. In this paper, we propose an intuitive yet effective self-supervised approach to train a 3D shape variational autoencoder (VAE) which encourages a disentangled latent representation of identity features. Curating the mini-batch generation by swapping arbitrary features across different shapes allows to define a loss function leveraging known differences and similarities in the latent representations. Experimental results conducted on 3D meshes show that state-of-the-art methods for latent disentanglement are not able to disentangle identity features of faces and bodies. Our proposed method properly decouples the generation of such features while maintaining good representation and reconstruction capabilities.

Mixed reality applications often require virtual objects that are partly occluded by real objects. However, previous research and commercial products have limitations in terms of performance and efficiency. To address these challenges, we propose a novel depth contour occlusion (DCO) algorithm. The proposed method is based on the sensitivity of contour occlusion and a binocular stereoscopic vision device. In this method, a depth contour map is combined with a sparse depth map obtained from a two-stage adaptive filter area stereo matching algorithm and the depth contour information of the objects extracted by a digital image stabilisation optical flow method. We also propose a quadratic optimisation model with three constraints to generate an accurate dense map of the depth contour for high-quality real-virtual occlusion. The whole process is accelerated by GPU. To evaluate the effectiveness of the algorithm, we demonstrate a time con-sumption statistical analysis for each stage of the DCO algorithm execution. To verify the relia-bility of the real-virtual occlusion effect, we conduct an experimental analysis on single-sided, enclosed, and complex occlusions; subsequently, we compare it with the occlusion method without quadratic optimisation. With our GPU implementation for real-time DCO, the evaluation indicates that applying the presented DCO algorithm can enhance the real-time performance and the visual quality of real-virtual occlusion.  ( 2 min )

Bayesian network structure learning is an NP-hard problem that has been faced by a number of traditional approaches in recent decades. Currently, quantum technologies offer a wide range of advantages that can be exploited to solve optimization tasks that cannot be addressed in an efficient way when utilizing classic computing approaches. In this work, a specific type of variational quantum algorithm, the quantum approximate optimization algorithm, was used to solve the Bayesian network structure learning problem, by employing $3n(n-1)/2$ qubits, where $n$ is the number of nodes in the Bayesian network to be learned. Our results showed that the quantum approximate optimization algorithm approach offers competitive results with state-of-the-art methods and quantitative resilience to quantum noise. The approach was applied to a cancer benchmark problem, and the results justified the use of variational quantum algorithms for solving the Bayesian network structure learning problem.  ( 2 min )

A core problem in statistics and probabilistic machine learning is to compute probability distributions and expectations. This is the fundamental problem of Bayesian statistics and machine learning, which frames all inference as expectations with respect to the posterior distribution. The key challenge is to approximate these intractable expectations. In this tutorial, we review sequential Monte Carlo (SMC), a random-sampling-based class of methods for approximate inference. First, we explain the basics of SMC, discuss practical issues, and review theoretical results. We then examine two of the main user design choices: the proposal distributions and the so called intermediate target distributions. We review recent results on how variational inference and amortization can be used to learn efficient proposals and target distributions. Next, we discuss the SMC estimate of the normalizing constant, how this can be used for pseudo-marginal inference and inference evaluation. Throughout the tutorial we illustrate the use of SMC on various models commonly used in machine learning, such as stochastic recurrent neural networks, probabilistic graphical models, and probabilistic programs.

This paper presents a novel parametric curve-based method for lane detection in RGB images. Unlike state-of-the-art segmentation-based and point detection-based methods that typically require heuristics to either decode predictions or formulate a large sum of anchors, the curve-based methods can learn holistic lane representations naturally. To handle the optimization difficulties of existing polynomial curve methods, we propose to exploit the parametric B\'ezier curve due to its ease of computation, stability, and high freedom degrees of transformations. In addition, we propose the deformable convolution-based feature flip fusion, for exploiting the symmetry properties of lanes in driving scenes. The proposed method achieves a new state-of-the-art performance on the popular LLAMAS benchmark. It also achieves favorable accuracy on the TuSimple and CULane datasets, while retaining both low latency (> 150 FPS) and small model size (< 10M). Our method can serve as a new baseline, to shed the light on the parametric curves modeling for lane detection. Codes of our model and PytorchAutoDrive: a unified framework for self-driving perception, are available at: https://github.com/voldemortX/pytorch-auto-drive .  ( 2 min )

It is a mystery which input features contribute to a neural network's output. Various explanation (feature attribution) methods are proposed in the literature to shed light on the problem. One peculiar observation is that these explanations (attributions) point to different features as being important. The phenomenon raises the question, which explanation to trust? We propose a framework for evaluating the explanations using the neural network model itself. The framework leverages the network to generate input features that impose a particular behavior on the output. Using the generated features, we devise controlled experimental setups to evaluate whether an explanation method conforms to an axiom. Thus we propose an empirical framework for axiomatic evaluation of explanation methods. We evaluate well-known and promising explanation solutions using the proposed framework. The framework provides a toolset to reveal properties and drawbacks within existing and future explanation solutions.  ( 2 min )

The ability for a human to understand an Artificial Intelligence (AI) model's decision-making process is critical in enabling stakeholders to visualize model behavior, perform model debugging, promote trust in AI models, and assist in collaborative human-AI decision-making. As a result, the research fields of interpretable and explainable AI have gained traction within AI communities as well as interdisciplinary scientists seeking to apply AI in their subject areas. In this paper, we focus on advancing the state-of-the-art in interpreting multimodal models - a class of machine learning methods that tackle core challenges in representing and capturing interactions between heterogeneous data sources such as images, text, audio, and time-series data. Multimodal models have proliferated numerous real-world applications across healthcare, robotics, multimedia, affective computing, and human-computer interaction. By performing model disentanglement into unimodal contributions (UC) and multimodal interactions (MI), our proposed approach, DIME, enables accurate and fine-grained analysis of multimodal models while maintaining generality across arbitrary modalities, model architectures, and tasks. Through a comprehensive suite of experiments on both synthetic and real-world multimodal tasks, we show that DIME generates accurate disentangled explanations, helps users of multimodal models gain a deeper understanding of model behavior, and presents a step towards debugging and improving these models for real-world deployment. Code for our experiments can be found at https://github.com/lvyiwei1/DIME.  ( 2 min )

Graph clustering is the process of grouping vertices into densely connected sets called clusters. We tailor two mathematical programming formulations from the literature, to this problem. In doing so, we obtain a heuristic approximation to the intra-cluster density maximization problem. We use two variations of a Boltzmann machine heuristic to obtain numerical solutions. For benchmarking purposes, we compare solution quality and computational performances to those obtained using a commercial solver, Gurobi. We also compare clustering quality to the clusters obtained using the popular Louvain modularity maximization method. Our initial results clearly demonstrate the superiority of our problem formulations. They also establish the superiority of the Boltzmann machine over the traditional exact solver. In the case of smaller less complex graphs, Boltzmann machines provide the same solutions as Gurobi, but with solution times that are orders of magnitude lower. In the case of larger and more complex graphs, Gurobi fails to return meaningful results within a reasonable time frame. Finally, we also note that both our clustering formulations, the distance minimization and $K$-medoids, yield clusters of superior quality to those obtained with the Louvain algorithm.  ( 2 min )

One of the burning problems lately in Japan has been cyber-bullying, or slandering and bullying people online. The problem has been especially noticed on unofficial Web sites of Japanese schools. Volunteers consisting of school personnel and PTA (Parent-Teacher Association) members have started Online Patrol to spot malicious contents within Web forums and blogs. In practise, Online Patrol assumes reading through the whole Web contents, which is a task difficult to perform manually. With this paper we introduce a research intended to help PTA members perform Online Patrol more efficiently. We aim to develop a set of tools that can automatically detect malicious entries and report them to PTA members. First, we collected cyber-bullying data from unofficial school Web sites. Then we performed analysis of this data in two ways. Firstly, we analysed the entries with a multifaceted affect analysis system in order to find distinctive features for cyber-bullying and apply them to a machine learning classifier. Secondly, we applied a SVM based machine learning method to train a classifier for detection of cyber-bullying. The system was able to classify cyber-bullying entries with 88.2% of balanced F-score.  ( 2 min )

Reinforcement learning (RL) is one of the three basic paradigms of machine learning. It has demonstrated impressive performance in many complex tasks like Go and StarCraft, which is increasingly involved in smart manufacturing and autonomous driving. However, RL consistently suffers from the exploration-exploitation dilemma. In this paper, we investigated the problem of improving exploration in RL and introduced the intrinsically-motivated RL. In sharp contrast to the classic exploration strategies, intrinsically-motivated RL utilizes the intrinsic learning motivation to provide sustainable exploration incentives. We carefully classified the existing intrinsic reward methods and analyzed their practical drawbacks. Moreover, we proposed a new intrinsic reward method via R\'enyi state entropy maximization, which overcomes the drawbacks of the preceding methods and provides powerful exploration incentives. Finally, extensive simulation demonstrated that the proposed module achieve superior performance with higher efficiency and robustness.  ( 2 min )

Entropy modeling is a key component for high-performance image compression algorithms. Recent developments in autoregressive context modeling helped learning-based methods to surpass their classical counterparts. However, the performance of those models can be further improved due to the underexploited spatio-channel dependencies in latent space, and the suboptimal implementation of context adaptivity. Inspired by the adaptive characteristics of the transformers, we propose a transformer-based context model, a.k.a. Contextformer, which generalizes the de facto standard attention mechanism to spatio-channel attention. We replace the context model of a modern compression framework with the Contextformer and test it on the widely used Kodak image dataset. Our experimental results show that the proposed model provides up to 10% rate savings compared to the standard Versatile Video Coding (VVC) Test Model (VTM) 9.1, and outperforms various learning-based models.  ( 2 min )

Currently, convolutional neural networks (CNN) (e.g., U-Net) have become the de facto standard and attained immense success in medical image segmentation. However, as a downside, CNN based methods are a double-edged sword as they fail to build long-range dependencies and global context connections due to the limited receptive field that stems from the intrinsic characteristics of the convolution operation. Hence, recent articles have exploited Transformer variants for medical image segmentation tasks which open up great opportunities due to their innate capability of capturing long-range correlations through the attention mechanism. Although being feasibly designed, most of the cohort studies incur prohibitive performance in capturing local information, thereby resulting in less lucidness of boundary areas. In this paper, we propose a contextual attention network to tackle the aforementioned limitations. The proposed method uses the strength of the Transformer module to model the long-range contextual dependency. Simultaneously, it utilizes the CNN encoder to capture local semantic information. In addition, an object-level representation is included to model the regional interaction map. The extracted hierarchical features are then fed to the contextual attention module to adaptively recalibrate the representation space using the local information. Then, they emphasize the informative regions while taking into account the long-range contextual dependency derived by the Transformer module. We validate our method on several large-scale public medical image segmentation datasets and achieve state-of-the-art performance. We have provided the implementation code in https://github.com/rezazad68/TMUnet.  ( 2 min )

In this paper, we study stochastic optimization of areas under precision-recall curves (AUPRC), which is widely used for combating imbalanced classification tasks. Although a few methods have been proposed for maximizing AUPRC, stochastic optimization of AUPRC with convergence guarantee remains an undeveloped territory. A state-of-the-art complexity is $O(1/\epsilon^5)$ for finding an $\epsilon$-stationary solution. In this paper, we further improve the stochastic optimization of AURPC by (i) developing novel stochastic momentum methods with a better iteration complexity of $O(1/\epsilon^4)$ for finding an $\epsilon$-stationary solution; and (ii) designing a novel family of stochastic adaptive methods with the same iteration complexity, which enjoy faster convergence in practice. To this end, we propose two innovative techniques that are critical for improving the convergence: (i) the biased estimators for tracking individual ranking scores are updated in a randomized coordinate-wise manner; and (ii) a momentum update is used on top of the stochastic gradient estimator for tracking the gradient of the objective. The novel analysis of Adam-style updates is also one main contribution. Extensive experiments on various data sets demonstrate the effectiveness of the proposed algorithms. Of independent interest, the proposed stochastic momentum and adaptive algorithms are also applicable to a class of two-level stochastic dependent compositional optimization problems.  ( 2 min )

Noisy intermediate-scale quantum (NISQ) devices are spearheading the second quantum revolution. Of these, quantum annealers are the only ones currently offering real world, commercial applications on as many as 5000 qubits. The size of problems that can be solved by quantum annealers is limited mainly by errors caused by environmental noise and intrinsic imperfections of the processor. We address the issue of intrinsic imperfections with a novel error correction approach, based on machine learning methods. Our approach adjusts the input Hamiltonian to maximize the probability of finding the solution. In our experiments, the proposed error correction method improved the performance of annealing by up to three orders of magnitude and enabled the solving of a previously intractable, maximally complex problem.  ( 2 min )

Ontologies encompass a formal representation of knowledge through the definition of concepts or properties of a domain, and the relationships between those concepts. In this work, we seek to investigate whether using this ontological information will improve learning from weakly labeled data, which are easier to collect since it requires only the presence or absence of an event to be known. We use the AudioSet ontology and dataset, which contains audio clips weakly labeled with the ontology concepts and the ontology providing the "Is A" relations between the concepts. We first re-implemented the model proposed by soundevent_ontology with modification to fit the multi-label scenario and then expand on that idea by using a Graph Convolutional Network (GCN) to model the ontology information to learn the concepts. We find that the baseline Siamese does not perform better by incorporating ontology information in the weak and multi-label scenario, but that the GCN does capture the ontology knowledge better for weak, multi-labeled data. In our experiments, we also investigate how different modules can tolerate noises introduced from weak labels and better incorporate ontology information. Our best Siamese-GCN model achieves mAP=0.45 and AUC=0.87 for lower-level concepts and mAP=0.72 and AUC=0.86 for higher-level concepts, which is an improvement over the baseline Siamese but about the same as our models that do not use ontology information.  ( 2 min )

eBPF is a new technology which allows dynamically loading pieces of code into the Linux kernel. It can greatly speed up networking since it enables the kernel to process certain packets without the involvement of a userspace program. So far eBPF has been used for simple packet filtering applications such as firewalls or Denial of Service protection. We show that it is possible to develop a flow based network intrusion detection system based on machine learning entirely in eBPF. Our solution uses a decision tree and decides for each packet whether it is malicious or not, considering the entire previous context of the network flow. We achieve a performance increase of over 20% compared to the same solution implemented as a userspace program.  ( 2 min )

Modeling driver behavior provides several advantages in the automotive industry, including prediction of electric vehicle energy consumption. Studies have shown that aggressive driving can consume up to 30% more energy than moderate driving, in certain driving scenarios. Machine learning methods are widely used for driver behavior classification, which, however, may yield some challenges such as sequence modeling on long time windows and lack of labeled data due to expensive annotation. To address the first challenge, passive learning of driver behavior, we investigate non-recurrent architectures such as self-attention models and convolutional neural networks with joint recurrence plots (JRP), and compare them with recurrent models. We find that self-attention models yield good performance, while JRP does not exhibit any significant improvement. However, with the window lengths of 5 and 10 seconds used in our study, none of the non-recurrent models outperform the recurrent models. To address the second challenge, we investigate several active learning methods with different informativeness measures. We evaluate uncertainty sampling, as well as more advanced methods, such as query by committee and active deep dropout. Our experiments demonstrate that some active sampling techniques can outperform random sampling, and therefore decrease the effort needed for annotation.  ( 2 min )

We present an open-source toolkit for neural machine translation (NMT). The new toolkit is mainly based on vaulted Transformer (Vaswani et al., 2017) along with many other improvements detailed below, in order to create a self-contained, simple to use, consistent and comprehensive framework for Machine Translation tasks of various domains. It is tooled to support both bilingual and multilingual translation tasks, starting from building the model from respective corpora, to inferring new predictions or packaging the model to serving-capable JIT format.  ( 2 min )

Early diagnosis of Alzheimer's disease and its prodromal stage, also known as mild cognitive impairment (MCI), is critical since some patients with progressive MCI will develop the disease. We propose a multi-stream deep convolutional neural network fed with patch-based imaging data to classify stable MCI and progressive MCI. First, we compare MRI images of Alzheimer's disease with cognitively normal subjects to identify distinct anatomical landmarks using a multivariate statistical test. These landmarks are then used to extract patches that are fed into the proposed multi-stream convolutional neural network to classify MRI images. Next, we train the architecture in a separate scenario using samples from Alzheimer's disease images, which are anatomically similar to the progressive MCI ones and cognitively normal images to compensate for the lack of progressive MCI training data. Finally, we transfer the trained model weights to the proposed architecture in order to fine-tune the model using progressive MCI and stable MCI data. Experimental results on the ADNI-1 dataset indicate that our method outperforms existing methods for MCI classification, with an F1-score of 85.96%.  ( 2 min )

Outsourced training and machine learning as a service have resulted in novel attack vectors like backdoor attacks. Such attacks embed a secret functionality in a neural network activated when the trigger is added to its input. In most works in the literature, the trigger is static, both in terms of location and pattern. The effectiveness of various detection mechanisms depends on this property. It was recently shown that countermeasures in image classification, like Neural Cleanse and ABS, could be bypassed with dynamic triggers that are effective regardless of their pattern and location. Still, such backdoors are demanding as they require a large percentage of poisoned training data. In this work, we are the first to show that dynamic backdoor attacks could happen due to a global average pooling layer without increasing the percentage of the poisoned training data. Nevertheless, our experiments in sound classification, text sentiment analysis, and image classification show this to be very difficult in practice.  ( 2 min )

We introduce a new version of deep state-space models (DSSMs) that combines a recurrent neural network with a state-space framework to forecast time series data. The model estimates the observed series as functions of latent variables that evolve non-linearly through time. Due to the complexity and non-linearity inherent in DSSMs, previous works on DSSMs typically produced latent variables that are very difficult to interpret. Our paper focus on producing interpretable latent parameters with two key modifications. First, we simplify the predictive decoder by restricting the response variables to be a linear transformation of the latent variables plus some noise. Second, we utilize shrinkage priors on the latent variables to reduce redundancy and improve robustness. These changes make the latent variables much easier to understand and allow us to interpret the resulting latent variables as random effects in a linear mixed model. We show through two public benchmark datasets the resulting model improves forecasting performances.  ( 2 min )

The availability of large amounts of data and compelling computation power have made deep learning models much popular for text classification and sentiment analysis. Deep neural networks have achieved competitive performance on the above tasks when trained on naive text representations such as word count, term frequency, and binary matrix embeddings. However, many of the above representations result in the input space having a dimension of the order of the vocabulary size, which is enormous. This leads to a blow-up in the number of parameters to be learned, and the computational cost becomes infeasible when scaling to domains that require retaining a colossal vocabulary. This work proposes using singular value decomposition to transform the high dimensional input space to a lower-dimensional latent space. We show that neural networks trained on this lower-dimensional space are not only able to retain performance while savoring significant reduction in the computational complexity but, in many situations, also outperforms the classical neural networks trained on the native input space.  ( 2 min )

Unsupervised learning plays an important role in many fields, such as artificial intelligence, machine learning, and neuroscience. Compared to static data, methods for extracting low-dimensional structure for dynamic data are lagging. We developed a novel information-theoretic framework, Compressed Predictive Information Coding (CPIC), to extract useful representations from dynamic data. CPIC selectively projects the past (input) into a linear subspace that is predictive about the compressed data projected from the future (output). The key insight of our framework is to learn representations by minimizing the compression complexity and maximizing the predictive information in latent space. We derive variational bounds of the CPIC loss which induces the latent space to capture information that is maximally predictive. Our variational bounds are tractable by leveraging bounds of mutual information. We find that introducing stochasticity in the encoder robustly contributes to better representation. Furthermore, variational approaches perform better in mutual information estimation compared with estimates under a Gaussian assumption. We demonstrate that CPIC is able to recover the latent space of noisy dynamical systems with low signal-to-noise ratios, and extracts features predictive of exogenous variables in neuroscience data.  ( 2 min )

We propose a deep learning methodology for multivariate regression that is based on pattern recognition that triggers fast learning over sensor data. We used a conversion of sensors-to-image which enables us to take advantage of Computer Vision architectures and training processes. In addition to this data preparation methodology, we explore the use of state-of-the-art architectures to generate regression outputs to predict agricultural crop continuous yield information. Finally, we compare with some of the top models reported in MLCAS2021. We found that using a straightforward training process, we were able to accomplish an MAE of 4.394, RMSE of 5.945, and R^2 of 0.861.  ( 2 min )

In this paper we discuss the problem of authentication of forensic audio when using digital recordings. Although forensic audio has been addressed in several papers the existing approaches are focused on analog magnetic recordings, which are becoming old-fashion due to the large amount of digital recorders available on the market (optical, solid-state, hard disks, etc). We present an approach based on digital signal processing that consist of spread spectrum techniques for speech watermarking. This approach presents the advantage that the authentication is based on the signal itself rather than the recording support. Thus, it is valid for whatever recording device. In addition, our proposal permits the introduction of relevant information such as recording date and time and all the relevant data (this is not possible with classical systems). Our experimental results reveal that the speech watermarking procedure does not interfere in a significant way with the posterior forensic speaker identification.  ( 2 min )

Adversarial robustness is a critical property in a variety of modern machine learning applications. While it has been the subject of several recent theoretical studies, many important questions related to adversarial robustness are still open. In this work, we study a fundamental question regarding Bayes optimality for adversarial robustness. We provide general sufficient conditions under which the existence of a Bayes optimal classifier can be guaranteed for adversarial robustness. Our results can provide a useful tool for a subsequent study of surrogate losses in adversarial robustness and their consistency properties. This manuscript is the extended version of the paper "On the Existence of the Adversarial Bayes Classifier" published in NeurIPS. The results of the original paper did not apply to some non-strictly convex norms. Here we extend our results to all possible norms. Additionally, we clarify a missing step in one of our proofs.  ( 2 min )

Frequent Directions, as a deterministic matrix sketching technique, has been proposed for tackling low-rank approximation problems. This method has a high degree of accuracy and practicality, but experiences a lot of computational cost for large-scale data. Several recent works on the randomized version of Frequent Directions greatly improve the computational efficiency, but unfortunately sacrifice some precision. To remedy such issue, this paper aims to find a more accurate projection subspace to further improve the efficiency and effectiveness of the existing Frequent Directions techniques. Specifically, by utilizing the power of Block Krylov Iteration and random projection technique, this paper presents a fast and accurate Frequent Directions algorithm named as r-BKIFD. The rigorous theoretical analysis shows that the proposed r-BKIFD has a comparable error bound with original Frequent Directions, and the approximation error can be arbitrarily small when the number of iterations is chosen appropriately. Extensive experimental results on both synthetic and real data further demonstrate the superiority of r-BKIFD over several popular Frequent Directions algorithms, both in terms of computational efficiency and accuracy.  ( 2 min )

Meta-learning (ML) has emerged as a promising learning method under resource constraints such as few-shot learning. ML approaches typically propose a methodology to learn generalizable models. In this work-in-progress paper, we put the recent ML approaches to a stress test to discover their limitations. Precisely, we measure the performance of ML approaches for few-shot learning against increasing task complexity. Our results show a quick degradation in the performance of initialization strategies for ML (MAML, TAML, and MetaSGD), while surprisingly, approaches that use an optimization strategy (MetaLSTM) perform significantly better. We further demonstrate the effectiveness of an optimization strategy for ML (MetaLSTM++) trained in a MAML manner over a pure optimization strategy. Our experiments also show that the optimization strategies for ML achieve higher transferability from simple to complex tasks.  ( 2 min )

Federated learning (FL) is a heavily promoted approach for training ML models on sensitive data, e.g., text typed by users on their smartphones. FL is expressly designed for training on data that are unbalanced and non-iid across the participants. To ensure privacy and integrity of the fedeated model, latest FL approaches use differential privacy or robust aggregation. We look at FL from the \emph{local} viewpoint of an individual participant and ask: (1) do participants have an incentive to participate in FL? (2) how can participants \emph{individually} improve the quality of their local models, without re-designing the FL framework and/or involving other participants? First, we show that on standard tasks such as next-word prediction, many participants gain no benefit from FL because the federated model is less accurate on their data than the models they can train locally on their own. Second, we show that differential privacy and robust aggregation make this problem worse by further destroying the accuracy of the federated model for many participants. Then, we evaluate three techniques for local adaptation of federated models: fine-tuning, multi-task learning, and knowledge distillation. We analyze where each is applicable and demonstrate that all participants benefit from local adaptation. Participants whose local models are poor obtain big accuracy improvements over conventional FL. Participants whose local models are better than the federated model\textemdash and who have no incentive to participate in FL today\textemdash improve less, but sufficiently to make the adapted federated model better than their local models.

Importance weighting is a classic technique to handle distribution shifts. However, prior work has presented strong empirical and theoretical evidence demonstrating that importance weights can have little to no effect on overparameterized neural networks. Is importance weighting truly incompatible with the training of overparameterized neural networks? Our paper answers this in the negative. We show that importance weighting fails not because of the overparameterization, but instead, as a result of using exponentially-tailed losses like the logistic or cross-entropy loss. As a remedy, we show that polynomially-tailed losses restore the effects of importance reweighting in correcting distribution shift in overparameterized models. We characterize the behavior of gradient descent on importance weighted polynomially-tailed losses with overparameterized linear models, and theoretically demonstrate the advantage of using polynomially-tailed losses in a label shift setting. Surprisingly, our theory shows that using weights that are obtained by exponentiating the classical unbiased importance weights can improve performance. Finally, we demonstrate the practical value of our analysis with neural network experiments on a subpopulation shift and a label shift dataset. When reweighted, our loss function can outperform reweighted cross-entropy by as much as 9% in test accuracy. Our loss function also gives test accuracies comparable to, or even exceeding, well-tuned state-of-the-art methods for correcting distribution shifts.

Collaborative deep reinforcement learning (CDRL) algorithms in which multiple agents can coordinate over a wireless network is a promising approach to enable future intelligent and autonomous systems that rely on real-time decision-making in complex dynamic environments. Nonetheless, in practical scenarios, CDRL faces many challenges due to the heterogeneity of agents and their learning tasks, different environments, time constraints of the learning, and resource limitations of wireless networks. To address these challenges, in this paper, a novel semantic-aware CDRL method is proposed to enable a group of heterogeneous untrained agents with semantically-linked DRL tasks to collaborate efficiently across a resource-constrained wireless cellular network. To this end, a new heterogeneous federated DRL (HFDRL) algorithm is proposed to select the best subset of semantically relevant DRL agents for collaboration. The proposed approach then jointly optimizes the training loss and wireless bandwidth allocation for the cooperating selected agents in order to train each agent within the time limit of its real-time task. Simulation results show the superior performance of the proposed algorithm compared to state-of-the-art baselines.

Faces generated using generative adversarial networks (GANs) have reached unprecedented realism. These faces, also known as "Deep Fakes", appear as realistic photographs with very little pixel-level distortions. While some work has enabled the training of models that lead to the generation of specific properties of the subject, generating a facial image based on a natural language description has not been fully explored. For security and criminal identification, the ability to provide a GAN-based system that works like a sketch artist would be incredibly useful. In this paper, we present a novel approach to generate facial images from semantic text descriptions. The learned model is provided with a text description and an outline of the type of face, which the model uses to sketch the features. Our models are trained using an Affine Combination Module (ACM) mechanism to combine the text embedding from BERT and the GAN latent space using a self-attention matrix. This avoids the loss of features due to inadequate "attention", which may happen if text embedding and latent vector are simply concatenated. Our approach is capable of generating images that are very accurately aligned to the exhaustive textual descriptions of faces with many fine detail features of the face and helps in generating better images. The proposed method is also capable of making incremental changes to a previously generated image if it is provided with additional textual descriptions or sentences.

Convolutional neural networks (CNNs) have so far been the de-facto model for visual data. Recent work has shown that (Vision) Transformer models (ViT) can achieve comparable or even superior performance on image classification tasks. This raises a central question: how are Vision Transformers solving these tasks? Are they acting like convolutional networks, or learning entirely different visual representations? Analyzing the internal representation structure of ViTs and CNNs on image classification benchmarks, we find striking differences between the two architectures, such as ViT having more uniform representations across all layers. We explore how these differences arise, finding crucial roles played by self-attention, which enables early aggregation of global information, and ViT residual connections, which strongly propagate features from lower to higher layers. We study the ramifications for spatial localization, demonstrating ViTs successfully preserve input spatial information, with noticeable effects from different classification methods. Finally, we study the effect of (pretraining) dataset scale on intermediate features and transfer learning, and conclude with a discussion on connections to new architectures such as the MLP-Mixer.

Accurately identifying patient's status through medical images plays an important role in diagnosis and treatment. Artificial intelligence (AI), especially the deep learning, has achieved great success in many fields. However, more reliable AI model is needed in image guided diagnosis and therapy. To achieve this goal, developing a balanced, safe and robust model with a unified framework is desirable. In this study, a new unified model termed as automated multi-objective Mixer (AutoMO-Mixer) model was developed, which utilized a recent developed multiple layer perceptron Mixer (MLP-Mixer) as base. To build a balanced model, sensitivity and specificity were considered as the objective functions simultaneously in training stage. Meanwhile, a new evidential reasoning based on entropy was developed to achieve a safe and robust model in testing stage. The experiment on an optical coherence tomography dataset demonstrated that AutoMO-Mixer can obtain safer, more balanced, and robust results compared with MLP-Mixer and other available models.

Local explanations of learning-to-rank (LTR) models are thought to extract the most important features that contribute to the ranking predicted by the LTR model for a single data point. Evaluating the accuracy of such explanations is challenging since the ground truth feature importance scores are not available for most modern LTR models. In this work, we propose a systematic evaluation technique for explanations of LTR models. Instead of using black-box models, such as neural networks, we propose to focus on tree-based LTR models, from which we can extract the ground truth feature importance scores using decision paths. Once extracted, we can directly compare the ground truth feature importance scores to the feature importance scores generated with explanation techniques. We compare two recently proposed explanation techniques for LTR models and benchmark them using decision trees and gradient boosting models on the MQ2008 dataset. We show that neither of the explanation techniques can achieve an acceptable explanation accuracy when the chosen similarity metric is AUC score or Spearman's rank correlation.

Recent work has shown promising results in causal discovery by leveraging interventional data with gradient-based methods, even when the intervened variables are unknown. However, previous work assumes that the correspondence between samples and interventions is known, which is often unrealistic. We envision a scenario with an extensive dataset sampled from multiple intervention distributions and one observation distribution, but where we do not know which distribution originated each sample and how the intervention affected the system, \textit{i.e.}, interventions are entirely latent. We propose a method based on neural networks and variational inference that addresses this scenario by framing it as learning a shared causal graph among an infinite mixture (under a Dirichlet process prior) of intervention structural causal models. Experiments with synthetic and real data show that our approach and its semi-supervised variant are able to discover causal relations in this challenging scenario.

Simulated annealing (SA) is a stochastic global optimisation technique applicable to a wide range of discrete and continuous variable problems. Despite its simplicity, the development of an effective SA optimiser for a given problem hinges on a handful of carefully handpicked components; namely, neighbour proposal distribution and temperature annealing schedule. In this work, we view SA from a reinforcement learning perspective and frame the proposal distribution as a policy, which can be optimised for higher solution quality given a fixed computational budget. We demonstrate that this Neural SA with such a learnt proposal distribution, parametrised by small equivariant neural networks, outperforms SA baselines on a number of problems: Rosenbrock's function, the Knapsack problem, the Bin Packing problem, and the Travelling Salesperson problem. We also show that Neural SA scales well to large problems - generalising to significantly larger problems than the ones seen during training - while achieving comparable performance to popular off-the-shelf solvers and other machine learning methods in terms of solution quality and wall-clock time.

RNN-Transducer (RNN-T) models have become synonymous with streaming end-to-end ASR systems. While they perform competitively on a number of evaluation categories, rare words pose a serious challenge to RNN-T models. One main reason for the degradation in performance on rare words is that the language model (LM) internal to RNN-Ts can become overconfident and lead to hallucinated predictions that are acoustically inconsistent with the underlying speech. To address this issue, we propose a lightweight adaptive LM discounting technique AdaptLMD, that can be used with any RNN-T architecture without requiring any external resources or additional parameters. AdaptLMD uses a two-pronged approach: 1) Randomly mask the prediction network output to encourage the RNN-T to not be overly reliant on it's outputs. 2) Dynamically choose when to discount the implicit LM (ILM) based on rarity of recently predicted tokens and divergence between ILM and implicit acoustic model (IAM) scores. Comparing AdaptLMD to a competitive RNN-T baseline, we obtain up to 4% and 14% relative reductions in overall WER and rare word PER, respectively, on a conversational, code-mixed Hindi-English ASR task.

Modern real-time Structural Health Monitoring systems can generate a considerable amount of information that must be processed and evaluated for detecting early anomalies and generating prompt warnings and alarms about the civil infrastructure conditions. The current cloud-based solutions cannot scale if the raw data has to be collected from thousands of buildings. This paper presents a full-stack deployment of an efficient and scalable anomaly detection pipeline for SHM systems which does not require sending raw data to the cloud but relies on edge computation. First, we benchmark three algorithmic approaches of anomaly detection, i.e., Principal Component Analysis (PCA), Fully-Connected AutoEncoder (FC-AE), and Convolutional AutoEncoder (C-AE). Then, we deploy them on an edge-sensor, the STM32L4, with limited computing capabilities. Our approach decreases network traffic by $\approx8\cdot10^5\times$ , from 780KB/hour to less than 10 Bytes/hour for a single installation and minimize network and cloud resource utilization, enabling the scaling of the monitoring infrastructure. A real-life case study, a highway bridge in Italy, demonstrates that combining near-sensor computation of anomaly detection algorithms, smart pre-processing, and low-power wide-area network protocols (LPWAN) we can greatly reduce data communication and cloud computing costs, while anomaly detection accuracy is not adversely affected.

In this work we present novel differentially private identity (goodness-of-fit) testers for natural and widely studied classes of multivariate product distributions: Gaussians in $\mathbb{R}^d$ with known covariance and product distributions over $\{\pm 1\}^{d}$. Our testers have improved sample complexity compared to those derived from previous techniques, and are the first testers whose sample complexity matches the order-optimal minimax sample complexity of $O(d^{1/2}/\alpha^2)$ in many parameter regimes. We construct two types of testers, exhibiting tradeoffs between sample complexity and computational complexity. Finally, we provide a two-way reduction between testing a subclass of multivariate product distributions and testing univariate distributions, and thereby obtain upper and lower bounds for testing this subclass of product distributions.

Embeddings mapping high-dimensional discrete input to lower-dimensional continuous vector spaces have been widely adopted in machine learning applications as a way to capture domain semantics. Interviewing 13 embedding users across disciplines, we find comparing embeddings is a key task for deployment or downstream analysis but unfolds in a tedious fashion that poorly supports systematic exploration. In response, we present the Embedding Comparator, an interactive system that presents a global comparison of embedding spaces alongside fine-grained inspection of local neighborhoods. It systematically surfaces points of comparison by computing the similarity of the $k$-nearest neighbors of every embedded object between a pair of spaces. Through case studies across multiple modalities, we demonstrate our system rapidly reveals insights, such as semantic changes following fine-tuning, language changes over time, and differences between seemingly similar models. In evaluations with 15 participants, we find our system accelerates comparisons by shifting from laborious manual specification to browsing and manipulating visualizations.

The availability of wide-ranging third-party intellectual property (3PIP) cores enables integrated circuit (IC) designers to focus on designing high-level features in ASICs/SoCs. The massive proliferation of ICs brings with it an increased number of bad actors seeking to exploit those circuits for various nefarious reasons. This is not surprising as integrated circuits affect every aspect of society. Thus, malicious logic (Hardware Trojans, HT) being surreptitiously injected by untrusted vendors into 3PIP cores used in IC design is an ever present threat. In this paper, we explore methods for identification of trigger-based HT in designs containing synthesizable IP cores without a golden model. Specifically, we develop methods to detect hardware trojans by detecting triggers embedded in ICs purely based on netlists acquired from the vendor. We propose GATE-Net, a deep learning model based on graph-convolutional networks (GCN) trained using supervised contrastive learning, for flagging designs containing randomly-inserted triggers using only the corresponding netlist. Our proposed architecture achieves significant improvements over state-of-the-art learning models yielding an average 46.99% improvement in detection performance for combinatorial triggers and 21.91% improvement for sequential triggers across a variety of circuit types. Through rigorous experimentation, qualitative and quantitative performance evaluations, we demonstrate effectiveness of GATE-Net and the supervised contrastive training of GATE-Net for HT detection.  ( 2 min )

Machine learning methods have revolutionized the discovery process of new molecules and materials. However, the intensive training process of neural networks for molecules with ever increasing complexity has resulted in exponential growth in computation cost, leading to long simulation time and high energy consumption. Photonic chip technology offers an alternative platform for implementing neural network with faster data processing and lower energy usage compared to digital computers. Here, we demonstrate the capability of photonic neural networks in predicting the quantum mechanical properties of molecules. Additionally, we show that multiple properties can be learned simultaneously in a photonic chip via a multi-task regression learning algorithm, which we believe is the first of its kind, as most previous works focus on implementing a network for the task of classification. Photonics technology are also naturally capable of implementing complex-valued neural networks at no additional hardware cost and we show that such neural networks outperform conventional real-valued networks for molecular property prediction. Our work opens the avenue for harnessing photonic technology for large-scale machine learning applications in molecular sciences such as drug discovery and materials design.  ( 2 min )

We present modality gap, an intriguing geometric phenomenon of the representation space of multi-modal models. Specifically, we show that different data modalities (e.g. images and text) are embedded at arm's length in their shared representation in multi-modal models such as CLIP. Our systematic analysis demonstrates that this gap is caused by a combination of model initialization and contrastive learning optimization. In model initialization, we show empirically and theoretically that the representation of a common deep neural network is restricted to a narrow cone. As a consequence, in a multi-modal model with two encoders, the representations of the two modalities are clearly apart when the model is initialized. During optimization, contrastive learning keeps the different modalities separate by a certain distance, which is influenced by the temperature parameter in the loss function. Our experiments further demonstrate that varying the modality gap distance has a significant impact in improving the model's downstream zero-shot classification performance and fairness. Our code and data are available at https://modalitygap.readthedocs.io/  ( 2 min )

In this paper, we analyse the performance of the closed-loop Whiplash gradient descent algorithm for $L$-smooth convex cost functions. Using numerical experiments, we study the algorithm's performance for convex cost functions, for different condition numbers. We analyse the convergence of the momentum sequence using symplectic integration and introduce the concept of relaxation sequences which analyses the non-classical character of the whiplash method. Under the additional assumption of invexity, we establish a momentum-driven adaptive convergence rate. Furthermore, we introduce an energy method for predicting the convergence rate with convex cost functions for closed-loop inertial gradient dynamics, using an integral anchored energy function and a novel lower bound asymptotic notation, by exploiting the bounded nature of the solutions. Using this, we establish a polynomial convergence rate for the whiplash inertial gradient system, for a family of scalar quadratic cost functions and an exponential rate for a quadratic scalar cost function.  ( 2 min )

Organ segmentation of medical images is a key step in virtual imaging trials. However, organ segmentation datasets are limited in terms of quality (because labels cover only a few organs) and quantity (since case numbers are limited). In this study, we explored the tradeoffs between quality and quantity. Our goal is to create a unified approach for multi-organ segmentation of body CT, which will facilitate the creation of large numbers of accurate virtual phantoms. Initially, we compared two segmentation architectures, 3D-Unet and DenseVNet, which were trained using XCAT data that is fully labeled with 22 organs, and chose the 3D-Unet as the better performing model. We used the XCAT-trained model to generate pseudo-labels for the CT-ORG dataset that has only 7 organs segmented. We performed two experiments: First, we trained 3D-UNet model on the XCAT dataset, representing quality data, and tested it on both XCAT and CT-ORG datasets. Second, we trained 3D-UNet after including the CT-ORG dataset into the training set to have more quantity. Performance improved for segmentation in the organs where we have true labels in both datasets and degraded when relying on pseudo-labels. When organs were labeled in both datasets, Exp-2 improved Average DSC in XCAT and CT-ORG by 1. This demonstrates that quality data is the key to improving the model's performance.  ( 2 min )

Deep learning-based classifiers have substantially improved recognition of malware samples. However, these classifiers can be vulnerable to adversarial input perturbations. Any vulnerability in malware classifiers poses significant threats to the platforms they defend. Therefore, to create stronger defense models against malware, we must understand the patterns in input perturbations caused by an adversary. This survey paper presents a comprehensive study on adversarial machine learning for android malware classifiers. We first present an extensive background in building a machine learning classifier for android malware, covering both image-based and text-based feature extraction approaches. Then, we examine the pattern and advancements in the state-of-the-art research in evasion attacks and defenses. Finally, we present guidelines for designing robust malware classifiers and enlist research directions for the future.  ( 2 min )

In some scenarios, classifier requires detecting out-of-distribution samples far from its training data. With desirable characteristics, reconstruction autoencoder-based methods deal with this problem by using input reconstruction error as a metric of novelty vs. normality. We formulate the essence of such approach as a quadruplet domain translation with an intrinsic bias to only query for a proxy of conditional data uncertainty. Accordingly, an improvement direction is formalized as maximumly compressing the autoencoder's latent space while ensuring its reconstructive power for acting as a described domain translator. From it, strategies are introduced including semantic reconstruction, data certainty decomposition and normalized L2 distance to substantially improve original methods, which together establish state-of-the-art performance on various benchmarks, e.g., the FPR@95%TPR of CIFAR-100 vs. TinyImagenet-crop on Wide-ResNet is 0.2%. Importantly, our method works without any additional data, hard-to-implement structure, time-consuming pipeline, and even harming the classification accuracy of known classes.  ( 2 min )

Humans do not perceive all parts of a scene with the same resolution, but rather focus on few regions of interest (ROIs). Traditional Object-Based codecs take advantage of this biological intuition, and are capable of non-uniform allocation of bits in favor of salient regions, at the expense of increased distortion the remaining areas: such a strategy allows a boost in perceptual quality under low rate constraints. Recently, several neural codecs have been introduced for video compression, yet they operate uniformly over all spatial locations, lacking the capability of ROI-based processing. In this paper, we introduce two models for ROI-based neural video coding. First, we propose an implicit model that is fed with a binary ROI mask and it is trained by de-emphasizing the distortion of the background. Secondly, we design an explicit latent scaling method, that allows control over the quantization binwidth for different spatial regions of latent variables, conditioned on the ROI mask. By extensive experiments, we show that our methods outperform all our baselines in terms of Rate-Distortion (R-D) performance in the ROI. Moreover, they can generalize to different datasets and to any arbitrary ROI at inference time. Finally, they do not require expensive pixel-level annotations during training, as synthetic ROI masks can be used with little to no degradation in performance. To the best of our knowledge, our proposals are the first solutions that integrate ROI-based capabilities into neural video compression models.  ( 2 min )

Anomaly detection (AD) plays an important role in numerous applications. We focus on two understudied aspects of AD that are critical for integration into real-world applications. First, most AD methods cannot incorporate labeled data that are often available in practice in small quantities and can be crucial to achieve high AD accuracy. Second, most AD methods are not interpretable, a bottleneck that prevents stakeholders from understanding the reason behind the anomalies. In this paper, we propose a novel AD framework that adapts a white-box model class, Generalized Additive Models, to detect anomalies using a partial identification objective which naturally handles noisy or heterogeneous features. In addition, the proposed framework, DIAD, can incorporate a small amount of labeled data to further boost anomaly detection performances in semi-supervised settings. We demonstrate the superiority of our framework compared to previous work in both unsupervised and semi-supervised settings using diverse tabular datasets. For example, under 5 labeled anomalies DIAD improves from 86.2\% to 89.4\% AUC by learning AD from unlabeled data. We also present insightful interpretations that explain why DIAD deems certain samples as anomalies.  ( 2 min )

We argue that object detectors in the safety critical domain should prioritize detection of objects that are most likely to interfere with the actions of the autonomous actor. Especially, this applies to objects that can impact the actor's safety and reliability. In the context of autonomous driving, we propose new object detection metrics that reward the correct identification of objects that are most likely to interact with the subject vehicle (i.e., the actor), and that may affect its driving decision. To achieve this, we build a criticality model to reward the detection of the objects based on proximity, orientation, and relative velocity with respect to the subject vehicle. Then, we apply our model on the recent autonomous driving dataset nuScenes, and we compare eight different object detectors. Results show that, in several settings, object detectors that perform best according to the nuScenes ranking are not the preferable ones when the focus is shifted on safety and reliability.  ( 2 min )

There exists a large number of datasets for organ segmentation, which are partially annotated and sequentially constructed. A typical dataset is constructed at a certain time by curating medical images and annotating the organs of interest. In other words, new datasets with annotations of new organ categories are built over time. To unleash the potential behind these partially labeled, sequentially-constructed datasets, we propose to incrementally learn a multi-organ segmentation model. In each incremental learning (IL) stage, we lose the access to previous data and annotations, whose knowledge is assumingly captured by the current model, and gain the access to a new dataset with annotations of new organ categories, from which we learn to update the organ segmentation model to include the new organs. While IL is notorious for its `catastrophic forgetting' weakness in the context of natural image analysis, we experimentally discover that such a weakness mostly disappears for CT multi-organ segmentation. To further stabilize the model performance across the IL stages, we introduce a light memory module and some loss functions to restrain the representation of different categories in feature space, aggregating feature representation of the same class and separating feature representation of different classes. Extensive experiments on five open-sourced datasets are conducted to illustrate the effectiveness of our method.  ( 2 min )

We aim to help users communicate their intent to machines using flexible, adaptive interfaces that translate arbitrary user input into desired actions. In this work, we focus on assistive typing applications in which a user cannot operate a keyboard, but can instead supply other inputs, such as webcam images that capture eye gaze or neural activity measured by a brain implant. Standard methods train a model on a fixed dataset of user inputs, then deploy a static interface that does not learn from its mistakes; in part, because extracting an error signal from user behavior can be challenging. We investigate a simple idea that would enable such interfaces to improve over time, with minimal additional effort from the user: online learning from user feedback on the accuracy of the interface's actions. In the typing domain, we leverage backspaces as feedback that the interface did not perform the desired action. We propose an algorithm called x-to-text (X2T) that trains a predictive model of this feedback signal, and uses this model to fine-tune any existing, default interface for translating user input into actions that select words or characters. We evaluate X2T through a small-scale online user study with 12 participants who type sentences by gazing at their desired words, a large-scale observational study on handwriting samples from 60 users, and a pilot study with one participant using an electrocorticography-based brain-computer interface. The results show that X2T learns to outperform a non-adaptive default interface, stimulates user co-adaptation to the interface, personalizes the interface to individual users, and can leverage offline data collected from the default interface to improve its initial performance and accelerate online learning.  ( 2 min )

Deep reinforcement learning (DRL) is a promising approach to solve complex control tasks by learning policies through interactions with the environment. However, the training of DRL policies requires large amounts of training experiences, making it impractical to learn the policy directly on physical systems. Sim-to-real approaches leverage simulations to pretrain DRL policies and then deploy them in the real world. Unfortunately, the direct real-world deployment of pretrained policies usually suffers from performance deterioration due to the different dynamics, known as the reality gap. Recent sim-to-real methods, such as domain randomization and domain adaptation, focus on improving the robustness of the pretrained agents. Nevertheless, the simulation-trained policies often need to be tuned with real-world data to reach optimal performance, which is challenging due to the high cost of real-world samples. This work proposes a distributed cloud-edge architecture to train DRL agents in the real world in real-time. In the architecture, the inference and training are assigned to the edge and cloud, separating the real-time control loop from the computationally expensive training loop. To overcome the reality gap, our architecture exploits sim-to-real transfer strategies to continue the training of simulation-pretrained agents on a physical system. We demonstrate its applicability on a physical inverted-pendulum control system, analyzing critical parameters. The real-world experiments show that our architecture can adapt the pretrained DRL agents to unseen dynamics consistently and efficiently.  ( 2 min )

Making language models bigger does not inherently make them better at following a user's intent. For example, large language models can generate outputs that are untruthful, toxic, or simply not helpful to the user. In other words, these models are not aligned with their users. In this paper, we show an avenue for aligning language models with user intent on a wide range of tasks by fine-tuning with human feedback. Starting with a set of labeler-written prompts and prompts submitted through the OpenAI API, we collect a dataset of labeler demonstrations of the desired model behavior, which we use to fine-tune GPT-3 using supervised learning. We then collect a dataset of rankings of model outputs, which we use to further fine-tune this supervised model using reinforcement learning from human feedback. We call the resulting models InstructGPT. In human evaluations on our prompt distribution, outputs from the 1.3B parameter InstructGPT model are preferred to outputs from the 175B GPT-3, despite having 100x fewer parameters. Moreover, InstructGPT models show improvements in truthfulness and reductions in toxic output generation while having minimal performance regressions on public NLP datasets. Even though InstructGPT still makes simple mistakes, our results show that fine-tuning with human feedback is a promising direction for aligning language models with human intent.  ( 2 min )

Membership inference attacks allow a malicious entity to predict whether a sample is used during training of a victim model or not. State-of-the-art membership inference attacks have shown to achieve good accuracy which poses a great privacy threat. However, majority of SOTA attacks require training dozens to hundreds of shadow models to accurately infer membership. This huge computation cost raises questions about practicality of these attacks on deep models. In this paper, we introduce a fundamentally different MI attack approach which obviates the need to train hundreds of shadow models. Simply put, we compare the victim model output on the target sample versus the samples from the same subpopulation (i.e., semantically similar samples), instead of comparing it with the output of hundreds of shadow models. The intuition is that the model response should not be significantly different between the target sample and its subpopulation if it was not a training sample. In cases where subpopulation samples are not available to the attacker, we show that training only a single generative model can fulfill the requirement. Hence, we achieve the state-of-the-art membership inference accuracy while significantly reducing the training computation cost.  ( 2 min )

We consider Convolutional Neural Networks (CNNs) with 2D structured features that are symmetric in the spatial dimensions. Such networks arise in modeling pairwise relationships for a sequential recommendation problem, as well as secondary structure inference problems of RNA and protein sequences. We develop a CNN architecture that generates and preserves the symmetry structure in the network's convolutional layers. We present parameterizations for the convolutional kernels that produce update rules to maintain symmetry throughout the training. We apply this architecture to the sequential recommendation problem, the RNA secondary structure inference problem, and the protein contact map prediction problem, showing that the symmetric structured networks produce improved results using fewer numbers of machine parameters.  ( 2 min )

Conversations have become a critical data format on social media platforms. Understanding conversation from emotion, content, and other aspects also attracts increasing attention from researchers due to its widespread application in human-computer interaction. In real-world environments, we often encounter the problem of incomplete modalities, which has become a core issue of conversation understanding. To address this problem, researchers propose various methods. However, existing approaches are mainly designed for individual utterances or medical images rather than conversational data, which cannot exploit temporal and speaker information in conversations. To this end, we propose a novel framework for incomplete multimodal learning in conversations, called "Graph Complete Network (GCNet)", filling the gap of existing works. Our GCNet contains two well-designed graph neural network-based modules, "Speaker GNN" and "Temporal GNN", to capture temporal and speaker information in conversations. To make full use of complete and incomplete data in feature learning, we jointly optimize classification and reconstruction in an end-to-end manner. To verify the effectiveness of our method, we conduct experiments on three benchmark conversational datasets. Experimental results demonstrate that our GCNet is superior to existing state-of-the-art approaches in incomplete multimodal learning.  ( 2 min )

Split learning is a distributed training framework that allows multiple parties to jointly train a machine learning model over vertically partitioned data (partitioned by attributes). The idea is that only intermediate computation results, rather than private features and labels, are shared between parties so that raw training data remains private. Nevertheless, recent works showed that the plaintext implementation of split learning suffers from severe privacy risks that a semi-honest adversary can easily reconstruct labels. In this work, we propose \textsf{TPSL} (Transcript Private Split Learning), a generic gradient perturbation based split learning framework that provides provable differential privacy guarantee. Differential privacy is enforced on not only the model weights, but also the communicated messages in the distributed computation setting. Our experiments on large-scale real-world datasets demonstrate the robustness and effectiveness of \textsf{TPSL} against label leakage attacks. We also find that \textsf{TPSL} have a better utility-privacy trade-off than baselines.  ( 2 min )

Federated learning is a promising machine learning technique that enables multiple clients to collaboratively build a model without revealing the raw data to each other. Among various types of federated learning methods, horizontal federated learning (HFL) is the best-studied category and handles homogeneous feature spaces. However, in the case of heterogeneous feature spaces, HFL uses only common features and leaves client-specific features unutilized. In this paper, we propose a HFL method using neural networks named continual horizontal federated learning (CHFL), a continual learning approach to improve the performance of HFL by taking advantage of unique features of each client. CHFL splits the network into two columns corresponding to common features and unique features, respectively. It jointly trains the first column by using common features through vanilla HFL and locally trains the second column by using unique features and leveraging the knowledge of the first one via lateral connections without interfering with the federated training of it. We conduct experiments on various real world datasets and show that CHFL greatly outperforms vanilla HFL that only uses common features and local learning that uses all features that each client has.  ( 2 min )

Existing continual relation learning (CRL) methods rely on plenty of labeled training data for learning a new task, which can be hard to acquire in real scenario as getting large and representative labeled data is often expensive and time-consuming. It is therefore necessary for the model to learn novel relational patterns with very few labeled data while avoiding catastrophic forgetting of previous task knowledge. In this paper, we formulate this challenging yet practical problem as continual few-shot relation learning (CFRL). Based on the finding that learning for new emerging few-shot tasks often results in feature distributions that are incompatible with previous tasks' learned distributions, we propose a novel method based on embedding space regularization and data augmentation. Our method generalizes to new few-shot tasks and avoids catastrophic forgetting of previous tasks by enforcing extra constraints on the relational embeddings and by adding extra {relevant} data in a self-supervised manner. With extensive experiments we demonstrate that our method can significantly outperform previous state-of-the-art methods in CFRL task settings.  ( 2 min )

Computing space-efficient summary, or \textit{a.k.a. sketches}, of large data, is a central problem in the streaming algorithm. Such sketches are used to answer \textit{post-hoc} queries in several data analytics tasks. The algorithm for computing sketches typically requires to be fast, accurate, and space-efficient. A fundamental problem in the streaming algorithm framework is that of computing the frequency moments of data streams. The frequency moments of a sequence containing $f_i$ elements of type $i$, are the numbers $\mathbf{F}_k=\sum_{i=1}^n {f_i}^k,$ where $i\in [n]$. This is also called as $\ell_k$ norm of the frequency vector $(f_1, f_2, \ldots f_n).$ Another important problem is to compute the similarity between two data streams by computing the inner product of the corresponding frequency vectors. The seminal work of Alon, Matias, and Szegedy~\cite{AMS}, \textit{a.k.a. Tug-of-war} (or AMS) sketch gives a randomized sublinear space (and linear time) algorithm for computing the frequency moments, and the inner product between two frequency vectors corresponding to the data streams. However, the variance of these estimates typically tends to be large. In this work, we focus on minimizing the variance of these estimates. We use the techniques from the classical Control-Variate method~\cite{Lavenberg} which is primarily known for variance reduction in Monte-Carlo simulations, and as a result, we are able to obtain significant variance reduction, at the cost of a little computational overhead. We present a theoretical analysis of our proposal and complement it with supporting experiments on synthetic as well as real-world datasets.

Better-supervised models might have better performance. In this paper, we first clarify what makes for good supervision for a classification problem, and then explain two existing label refining methods, label smoothing and knowledge distillation, in terms of our proposed criterion. To further answer why and how better supervision emerges, we observe the learning path, i.e., the trajectory of the model's predictions during training, for each training sample. We find that the model can spontaneously refine "bad" labels through a "zig-zag" learning path, which occurs on both toy and real datasets. Observing the learning path not only provides a new perspective for understanding knowledge distillation, overfitting, and learning dynamics, but also reveals that the supervisory signal of a teacher network can be very unstable near the best points in training on real tasks. Inspired by this, we propose a new knowledge distillation scheme, Filter-KD, which improves downstream classification performance in various settings.

Recently several papers have been published on nonlinear prediction applied to speech coding. At ICASSP98 we presented a system based on an ADPCM scheme with a nonlinear predictor based on a neural net. The most critical parameter was the training procedure in order to achieve good generalization capability and robustness against mismatch between training and testing conditions. In this paper, we propose several new approaches that improve the performance of the original system in up to 1.2dB of SEGSNR (using bayesian regularization). The variance of the SEGSNR between frames is also minimized, so the new scheme produces a more stable quality of the output.  ( 2 min )

Weight sharing based and predictor based methods are two major types of fast neural architecture search methods. In this paper, we propose to jointly use weight sharing and predictor in a unified framework. First, we construct a SuperNet in a weight-sharing way and probabilisticly sample architectures from the SuperNet. To increase the correctness of the evaluation of architectures, besides direct evaluation using the inherited weights, we further apply a few-shot predictor to assess the architecture on the other hand. The final evaluation of the architecture is the combination of direct evaluation, the prediction from the predictor and the cost of the architecture. We regard the evaluation as a reward and apply a self-critical policy gradient approach to update the architecture probabilities. To further reduce the side effects of weight sharing, we propose a weakly weight sharing method by introducing another HyperNet. We conduct experiments on datasets including CIFAR-10, CIFAR-100 and ImageNet under NATS-Bench, DARTS and MobileNet search space. The proposed WPNAS method achieves state-of-the-art performance on these datasets.  ( 2 min )

Automatic anatomical landmark localization has made great strides by leveraging deep learning methods in recent years. The ability to quantify the uncertainty of these predictions is a vital ingredient needed to see these methods adopted in clinical use, where it is imperative that erroneous predictions are caught and corrected. We propose Quantile Binning, a data-driven method to categorise predictions by uncertainty with estimated error bounds. This framework can be applied to any continuous uncertainty measure, allowing straightforward identification of the best subset of predictions with accompanying estimated error bounds. We facilitate easy comparison between uncertainty measures by constructing two evaluation metrics derived from Quantile Binning. We demonstrate this framework by comparing and contrasting three uncertainty measures (a baseline, the current gold standard, and a proposed method combining aspects of the two), across two datasets (one easy, one hard) and two heatmap-based landmark localization model paradigms (U-Net and patch-based). We conclude by illustrating how filtering out gross mispredictions caught in our Quantile Bins significantly improves the proportion of predictions under an acceptable error threshold, and offer recommendations on which uncertainty measure to use and how to use it.

How can we make predictions for nodes in a heterogeneous graph when an entire type of node (e.g. user) has no labels (perhaps due to privacy issues) at all? Although heterogeneous graph neural networks (HGNNs) have shown superior performance as powerful representation learning techniques, there is no direct way to learn using labels rooted at different node types. Domain adaptation (DA) targets this setting, however, existing DA can not be applied directly to HGNNs. In heterogeneous graphs, the source and target domains have different modalities, thus HGNNs provide different feature extractors to them, while most of DA assumes source and target domains share a common feature extractor. In this work, we address the issue of zero-shot domain adaptation in HGNNs. We first theoretically induce a relationship between source and target domain features extracted from HGNNs, then propose a novel domain adaptation method, Knowledge Transfer Networks for HGNNs (HGNN-KTN). HGNN-KTN learns the relationship between source and target features, then maps the target distributions into the source domain. HGNN-KTN outperforms state-of-the-art baselines, showing up to 73.3% higher in MRR on 18 different domain adaptation tasks running on real-world benchmark graphs.  ( 2 min )

Speech enhancement in the time-frequency domain is often performed by estimating a multiplicative mask to extract clean speech. However, most neural network-based methods perform point estimation, i.e., their output consists of a single mask. In this paper, we study the benefits of modeling uncertainty in neural network-based speech enhancement. For this, our neural network is trained to map a noisy spectrogram to the Wiener filter and its associated variance, which quantifies uncertainty, based on the maximum a posteriori (MAP) inference of spectral coefficients. By estimating the distribution instead of the point estimate, one can model the uncertainty associated with each estimate. We further propose to use the estimated Wiener filter and its uncertainty to build an approximate MAP (A-MAP) estimator of spectral magnitudes, which in turn is combined with the MAP inference of spectral coefficients to form a hybrid loss function to jointly reinforce the estimation. Experimental results on different datasets show that the proposed method can not only capture the uncertainty associated with the estimated filters, but also yield a higher enhancement performance over comparable models that do not take uncertainty into account.

Recent progress in state-only imitation learning extends the scope of applicability of imitation learning to real-world settings by relieving the need for observing expert actions. However, existing solutions only learn to extract a state-to-action mapping policy from the data, without considering how the expert plans to the target. This hinders the ability to leverage demonstrations and limits the flexibility of the policy. In this paper, we introduce Decoupled Policy Optimization (DePO), which explicitly decouples the policy as a high-level state planner and an inverse dynamics model. With embedded decoupled policy gradient and generative adversarial training, DePO enables knowledge transfer to different action spaces or state transition dynamics, and can generalize the planner to out-of-demonstration state regions. Our in-depth experimental analysis shows the effectiveness of DePO on learning a generalized target state planner while achieving the best imitation performance. We demonstrate the appealing usage of DePO for transferring across different tasks by pre-training, and the potential for co-training agents with various skills.

The increasing energy consumption and carbon footprint of deep learning (DL) due to growing compute requirements has become a cause of concern. In this work, we focus on the carbon footprint of developing DL models for medical image analysis (MIA), where volumetric images of high spatial resolution are handled. In this study, we present and compare the features of four tools from literature to quantify the carbon footprint of DL. Using one of these tools we estimate the carbon footprint of medical image segmentation pipelines. We choose nnU-net as the proxy for a medical image segmentation pipeline and experiment on three common datasets. With our work we hope to inform on the increasing energy costs incurred by MIA. We discuss simple strategies to cut-down the environmental impact that can make model selection and training processes more efficient.  ( 2 min )

The existing matrix completion methods focus on optimizing the relaxation of rank function such as nuclear norm, Schatten-p norm, etc. They usually need many iterations to converge. Moreover, only the low-rank property of matrices is utilized in most existing models and several methods that incorporate other knowledge are quite time-consuming in practice. To address these issues, we propose a novel non-convex surrogate that can be optimized by closed-form solutions, such that it empirically converges within dozens of iterations. Besides, the optimization is parameter-free and the convergence is proved. Compared with the relaxation of rank, the surrogate is motivated by optimizing an upper-bound of rank. We theoretically validate that it is equivalent to the existing matrix completion models. Besides the low-rank assumption, we intend to exploit the column-wise correlation for matrix completion, and thus an adaptive correlation learning, which is scaling-invariant, is developed. More importantly, after incorporating the correlation learning, the model can be still solved by closed-form solutions such that it still converges fast. Experiments show the effectiveness of the non-convex surrogate and adaptive correlation learning.  ( 2 min )

We analyse the convergence of the proximal gradient algorithm for convex composite problems in the presence of gradient and proximal computational inaccuracies. We derive new tighter deterministic and probabilistic bounds that we use to verify a simulated (MPC) and a synthetic (LASSO) optimization problems solved on a reduced-precision machine in combination with an inaccurate proximal operator. We also show how the probabilistic bounds are more robust for algorithm verification and more accurate for application performance guarantees. Under some statistical assumptions, we also prove that some cumulative error terms follow a martingale property. And conforming to observations, e.g., in \cite{schmidt2011convergence}, we also show how the acceleration of the algorithm amplifies the gradient and proximal computational errors.  ( 2 min )

The transformer architecture is ubiquitously used as the building block of most large-scale language models. However, it remains a painstaking guessing game of trial and error to set its myriad of architectural hyperparameters, e.g., number of layers, number of attention heads, and inner size of the feed forward network, and find architectures with the optimal trade-off between task performance like perplexity and compute constraints like memory and latency. This challenge is further exacerbated by the proliferation of various hardware. In this work, we leverage the somewhat surprising empirical observation that the number of non-embedding parameters in autoregressive transformers has a high rank correlation with task performance, irrespective of the architectural hyperparameters. Since architectural hyperparameters affect the latency and memory footprint in a hardware-dependent manner, the above observation organically induces a simple search algorithm that can be directly run on target devices. We rigorously show that the latency and perplexity pareto-frontier can be found without need for any model training, using non-embedding parameters as a proxy for perplexity. We evaluate our method, dubbed Lightweight Transformer Search (LTS), on diverse devices from ARM CPUs to Nvidia GPUs and show that the perplexity of Transformer-XL can be achieved with up to 2x lower latency. LTS extracts the pareto-frontier in less than 3 hours while running on a commodity laptop. We effectively remove the carbon footprint of training for hundreds of GPU hours, offering a strong simple baseline for future NAS methods in autoregressive language modeling.  ( 2 min )

The study of robustness has received much attention due to its inevitability in data-driven settings where many systems face uncertainty. One such example of concern is Bayesian Optimization (BO), where uncertainty is multi-faceted, yet there only exists a limited number of works dedicated to this direction. In particular, there is the work of Kirschner et al. (2020), which bridges the existing literature of Distributionally Robust Optimization (DRO) by casting the BO problem from the lens of DRO. While this work is pioneering, it admittedly suffers from various practical shortcomings such as finite contexts assumptions, leaving behind the main question Can one devise a computationally tractable algorithm for solving this DRO-BO problem? In this work, we tackle this question to a large degree of generality by considering robustness against data-shift in $\phi$-divergences, which subsumes many popular choices, such as the $\chi^2$-divergence, Total Variation, and the extant Kullback-Leibler (KL) divergence. We show that the DRO-BO problem in this setting is equivalent to a finite-dimensional optimization problem which, even in the continuous context setting, can be easily implemented with provable sublinear regret bounds. We then show experimentally that our method surpasses existing methods, attesting to the theoretical results  ( 2 min )

Many works have shown that deep learning-based medical image classification models can exhibit bias toward certain demographic attributes like race, gender, and age. Existing bias mitigation methods primarily focus on learning debiased models, which may not necessarily guarantee all sensitive information can be removed and usually comes with considerable accuracy degradation on both privileged and unprivileged groups. To tackle this issue, we propose a method, FairPrune, that achieves fairness by pruning. Conventionally, pruning is used to reduce the model size for efficient inference. However, we show that pruning can also be a powerful tool to achieve fairness. Our observation is that during pruning, each parameter in the model has different importance for different groups' accuracy. By pruning the parameters based on this importance difference, we can reduce the accuracy difference between the privileged group and the unprivileged group to improve fairness without a large accuracy drop. To this end, we use the second derivative of the parameters of a pre-trained model to quantify the importance of each parameter with respect to the model accuracy for each group. Experiments on two skin lesion diagnosis datasets over multiple sensitive attributes demonstrate that our method can greatly improve fairness while keeping the average accuracy of both groups as high as possible.  ( 2 min )

Nuclei Identification and Counting is the most important morphological feature of cancers, especially in the colon. Many deep learning-based methods have been proposed to deal with this problem. In this work, we construct an extension of Hovernet for nuclei identification and counting to address the problem named MF-Hovernet. Our proposed model is the combination of multiple filer block to Hovernet architecture. The current result shows the efficiency of multiple filter block to improve the performance of the original Hovernet model.  ( 2 min )

Machine learning classifiers with high test accuracy often perform poorly under adversarial attacks. It is commonly believed that adversarial training alleviates this issue. In this paper, we demonstrate that, surprisingly, the opposite may be true -- Even though adversarial training helps when enough data is available, it may hurt robust generalization in the small sample size regime. We first prove this phenomenon for a high-dimensional linear classification setting with noiseless observations. Our proof provides explanatory insights that may also transfer to feature learning models. Further, we observe in experiments on standard image datasets that the same behavior occurs for perceptible attacks that effectively reduce class information such as mask attacks and object corruptions.  ( 2 min )

Numerical modeling and simulation have become indispensable tools for advancing a comprehensive understanding of the underlying mechanisms and cost-effective process optimization and control of flow batteries. In this study, we propose an enhanced version of the physics-constrained deep neural network (PCDNN) approach [1] to provide high-accuracy voltage predictions in the vanadium redox flow batteries (VRFBs). The purpose of the PCDNN approach is to enforce the physics-based zero-dimensional (0D) VRFB model in a neural network to assure model generalization for various battery operation conditions. Limited by the simplifications of the 0D model, the PCDNN cannot capture sharp voltage changes in the extreme SOC regions. To improve the accuracy of voltage prediction at extreme ranges, we introduce a second (enhanced) DNN to mitigate the prediction errors carried from the 0D model itself and call the resulting approach enhanced PCDNN (ePCDNN). By comparing the model prediction with experimental data, we demonstrate that the ePCDNN approach can accurately capture the voltage response throughout the charge--discharge cycle, including the tail region of the voltage discharge curve. Compared to the standard PCDNN, the prediction accuracy of the ePCDNN is significantly improved. The loss function for training the ePCDNN is designed to be flexible by adjusting the weights of the physics-constrained DNN and the enhanced DNN. This allows the ePCDNN framework to be transferable to battery systems with variable physical model fidelity.  ( 2 min )

This work presents a fraud and abuse detection framework for streaming services by modeling user streaming behavior. The goal is to discover anomalous and suspicious incidents and scale the investigation efforts by creating models that characterize the user behavior. We study the use of semi-supervised as well as supervised approaches for anomaly detection. In the semi-supervised approach, by leveraging only a set of authenticated anomaly-free data samples, we show the use of one-class classification algorithms as well as autoencoder deep neural networks for anomaly detection. In the supervised anomaly detection task, we present a so-called heuristic-aware data labeling strategy for creating labeled data samples. We carry out binary classification as well as multi-class multi-label classification tasks for not only detecting the anomalous samples but also identifying the underlying anomaly behavior(s) associated with each one. Finally, using a systematic feature importance study we provide insights into the underlying set of features that characterize different streaming fraud categories. To the best of our knowledge, this is the first paper to use machine learning methods for fraud and abuse detection in real-world scale streaming services.  ( 2 min )

Membership inference (MI) determines if a sample was part of a victim model training set. Recent development of MI attacks focus on record-level membership inference which limits their application in many real-world scenarios. For example, in the person re-identification task, the attacker (or investigator) is interested in determining if a user's images have been used during training or not. However, the exact training images might not be accessible to the attacker. In this paper, we develop a user-level MI attack where the goal is to find if any sample from the target user has been used during training even when no exact training sample is available to the attacker. We focus on metric embedding learning due to its dominance in person re-identification, where user-level MI attack is more sensible. We conduct an extensive evaluation on several datasets and show that our approach achieves high accuracy on user-level MI task.  ( 2 min )

Precise representation of large-scale undirected network is the basis for understanding relations within a massive entity set. The undirected network representation task can be efficiently addressed by a symmetry non-negative latent factor (SNLF) model, whose objective is clearly non-convex. However, existing SNLF models commonly adopt a first-order optimizer that cannot well handle the non-convex objective, thereby resulting in inaccurate representation results. On the other hand, higher-order learning algorithms are expected to make a breakthrough, but their computation efficiency are greatly limited due to the direct manipulation of the Hessian matrix, which can be huge in undirected network representation tasks. Aiming at addressing this issue, this study proposes to incorporate an efficient second-order method into SNLF, thereby establishing a second-order symmetric non-negative latent factor analysis model for undirected network with two-fold ideas: a) incorporating a mapping strategy into SNLF model to form an unconstrained model, and b) training the unconstrained model with a specially designed second order method to acquire a proper second-order step efficiently. Empirical studies indicate that proposed model outperforms state-of-the-art models in representation accuracy with affordable computational burden.  ( 2 min )

In continual learning (CL), the goal is to design models that can learn a sequence of tasks without catastrophic forgetting. While there is a rich set of techniques for CL, relatively little understanding exists on how representations built by previous tasks benefit new tasks that are added to the network. To address this, we study the problem of continual representation learning (CRL) where we learn an evolving representation as new tasks arrive. Focusing on zero-forgetting methods where tasks are embedded in subnetworks (e.g., PackNet), we first provide experiments demonstrating CRL can significantly boost sample efficiency when learning new tasks. To explain this, we establish theoretical guarantees for CRL by providing sample complexity and generalization error bounds for new tasks by formalizing the statistical benefits of previously-learned representations. Our analysis and experiments also highlight the importance of the order in which we learn the tasks. Specifically, we show that CL benefits if the initial tasks have large sample size and high "representation diversity". Diversity ensures that adding new tasks incurs small representation mismatch and can be learned with few samples while training only few additional nonzero weights. Finally, we ask whether one can ensure each task subnetwork to be efficient during inference time while retaining the benefits of representation learning. To this end, we propose an inference-efficient variation of PackNet called Efficient Sparse PackNet (ESPN) which employs joint channel & weight pruning. ESPN embeds tasks in channel-sparse subnets requiring up to 80% less FLOPs to compute while approximately retaining accuracy and is very competitive with a variety of baselines. In summary, this work takes a step towards data and compute-efficient CL with a representation learning perspective. GitHub page: https://github.com/ucr-optml/CtRL  ( 2 min )

Surgical resection is a common procedure in the treatment of pediatric posterior fossa tumors. However, surgical damage is often unavoidable and its association with postoperative complications is not well understood. A reliable localization and measure of cerebellar damage is fundamental to study the relationship between the damaged cerebellar regions and postoperative neurological outcomes. Existing cerebellum normalization methods are not reliable on postoperative scans, therefore current approaches to measure surgical damage rely on manual labelling. In this work, we develop a robust algorithm to automatically detect and measure cerebellum damage due to surgery using postoperative 3D T1 magnetic resonance imaging. In our proposed approach, normal brain tissues are first segmented using a Bayesian algorithm customized for postoperative scans. Next, the cerebellum is isolated by nonlinear registration of a whole brain template to the native space. The isolated cerebellum is then normalized into the spatially unbiased atlas (SUIT) space using anatomical information derived from the previous step. Finally, the damage is detected in the atlas space by comparing the normalized cerebellum and the SUIT template. We evaluated our damage detection tool on postoperative scans of 153 patients diagnosed with medulloblastoma based on inspection by human expects. We also designed a simulation to test the proposed approach without human intervention. Our results show that the proposed approach has superior performance on various scenarios.  ( 2 min )

Deep learning methods have shown outstanding classification accuracy in medical image analysis problems, which is largely attributed to the availability of large datasets manually annotated with clean labels. However, such manual annotation can be expensive to obtain for large datasets, so we may rely on machine-generated noisy labels. Many Chest X-ray (CXR) classifiers are modelled from datasets with machine-generated labels, but their training procedure is in general not robust to the presence of noisy-label samples and can overfit those samples to produce sub-optimal solutions. Furthermore, CXR datasets are mostly multi-label, so current noisy-label learning methods designed for multi-class problems cannot be easily adapted. To address such noisy multi-label CXR learning problem, we propose a new learning method based on estimating image virtual attributes using semantic information from the label to assist in the identification and correction of noisy multi-labels from training samples. Our experiments on diverse noisy multi-label training sets and clean testing sets show that our model has state-of-the-art accuracy and robustness across all datasets.  ( 2 min )

This paper presents a new database collected from a bilingual speakers set (49), in two different languages: Spanish and Catalan. Phonetically there are significative differences between both languages. These differences have let us to establish several conclusions on the relevance of language in speaker recognition, using two methods: vector quantization and covariance matrices  ( 2 min )

Spectral clustering is widely used in practice due to its flexibility, computational efficiency, and well-understood theoretical performance guarantees. Recently, spectral clustering has been studied to find balanced clusters under population-level constraints. These constraints are specified by additional information available in the form of auxiliary categorical node attributes. In this paper, we consider a scenario where these attributes may not be observable, but manifest as latent features of an auxiliary graph. Motivated by this, we study constrained spectral clustering with the aim of finding balanced clusters in a given \textit{similarity graph} $\mathcal{G}$, such that each individual is adequately represented with respect to an auxiliary graph $\mathcal{R}$ (we refer to this as representation graph). We propose an individual-level balancing constraint that formalizes this idea. Our work leads to an interesting stochastic block model that not only plants the given partitions in $\mathcal{G}$ but also plants the auxiliary information encoded in the representation graph $\mathcal{R}$. We develop unnormalized and normalized variants of spectral clustering in this setting. These algorithms use $\mathcal{R}$ to find clusters in $\mathcal{G}$ that approximately satisfy the proposed constraint. We also establish the first statistical consistency result for constrained spectral clustering under individual-level constraints for graphs sampled from the above-mentioned variant of the stochastic block model. Our experimental results corroborate our theoretical findings.  ( 2 min )

Causal discovery from observational and interventional data is challenging due to limited data and non-identifiability which introduces uncertainties in estimating the underlying structural causal model (SCM). Incorporating these uncertainties and selecting optimal experiments (interventions) to perform can help to identify the true SCM faster. Existing methods in experimental design for causal discovery from limited data either rely on linear assumptions for the SCM or select only the intervention target. In this paper, we incorporate recent advances in Bayesian causal discovery into the Bayesian optimal experimental design framework, which allows for active causal discovery of nonlinear, large SCMs, while selecting both the target and the value to intervene with. We demonstrate the performance of the proposed method on synthetic graphs (Erdos-R\`enyi, Scale Free) for both linear and nonlinear SCMs as well as on the in-silico single-cell gene regulatory network dataset, DREAM.  ( 2 min )

In this work, we use a combination of Bayesian inference, Markov chain Monte Carlo and deep learning in the form of LSTM autoencoders to build and test a framework to provide robust estimates of injection rate from ground surface data in coupled flow and geomechanics problems. We use LSTM autoencoders to reconstruct the displacement time series for grid points on the top surface of a faulting due to water injection problem. We then deploy this LSTM autoencoder based model instead of the high fidelity model in the Bayesian inference framework to estimate injection rate from displacement input.  ( 2 min )

For autoregressive (AR) modeling of high-resolution images, vector quantization (VQ) represents an image as a sequence of discrete codes. A short sequence length is important for an AR model to reduce its computational costs to consider long-range interactions of codes. However, we postulate that previous VQ cannot shorten the code sequence and generate high-fidelity images together in terms of the rate-distortion trade-off. In this study, we propose the two-stage framework, which consists of Residual-Quantized VAE (RQ-VAE) and RQ-Transformer, to effectively generate high-resolution images. Given a fixed codebook size, RQ-VAE can precisely approximate a feature map of an image and represent the image as a stacked map of discrete codes. Then, RQ-Transformer learns to predict the quantized feature vector at the next position by predicting the next stack of codes. Thanks to the precise approximation of RQ-VAE, we can represent a 256$\times$256 image as 8$\times$8 resolution of the feature map, and RQ-Transformer can efficiently reduce the computational costs. Consequently, our framework outperforms the existing AR models on various benchmarks of unconditional and conditional image generation. Our approach also has a significantly faster sampling speed than previous AR models to generate high-quality images.  ( 2 min )

Machine learning (ML) has made tremendous progress during the past decade and is being adopted in various critical real-world applications. However, recent research has shown that ML models are vulnerable to multiple security and privacy attacks. In particular, backdoor attacks against ML models have recently raised a lot of awareness. A successful backdoor attack can cause severe consequences, such as allowing an adversary to bypass critical authentication systems. Current backdooring techniques rely on adding static triggers (with fixed patterns and locations) on ML model inputs which are prone to detection by the current backdoor detection mechanisms. In this paper, we propose the first class of dynamic backdooring techniques against deep neural networks (DNN), namely Random Backdoor, Backdoor Generating Network (BaN), and conditional Backdoor Generating Network (c-BaN). Triggers generated by our techniques can have random patterns and locations, which reduce the efficacy of the current backdoor detection mechanisms. In particular, BaN and c-BaN based on a novel generative network are the first two schemes that algorithmically generate triggers. Moreover, c-BaN is the first conditional backdooring technique that given a target label, it can generate a target-specific trigger. Both BaN and c-BaN are essentially a general framework which renders the adversary the flexibility for further customizing backdoor attacks. We extensively evaluate our techniques on three benchmark datasets: MNIST, CelebA, and CIFAR-10. Our techniques achieve almost perfect attack performance on backdoored data with a negligible utility loss. We further show that our techniques can bypass current state-of-the-art defense mechanisms against backdoor attacks, including ABS, Februus, MNTD, Neural Cleanse, and STRIP.  ( 2 min )

Convolutional neural networks (CNNs) have so far been the de-facto model for visual data. Recent work has shown that (Vision) Transformer models (ViT) can achieve comparable or even superior performance on image classification tasks. This raises a central question: how are Vision Transformers solving these tasks? Are they acting like convolutional networks, or learning entirely different visual representations? Analyzing the internal representation structure of ViTs and CNNs on image classification benchmarks, we find striking differences between the two architectures, such as ViT having more uniform representations across all layers. We explore how these differences arise, finding crucial roles played by self-attention, which enables early aggregation of global information, and ViT residual connections, which strongly propagate features from lower to higher layers. We study the ramifications for spatial localization, demonstrating ViTs successfully preserve input spatial information, with noticeable effects from different classification methods. Finally, we study the effect of (pretraining) dataset scale on intermediate features and transfer learning, and conclude with a discussion on connections to new architectures such as the MLP-Mixer.  ( 2 min )

The inception of Relational Graph Convolutional Networks (R-GCNs) marked a milestone in the Semantic Web domain as it allows for end-to-end training of machine learning models that operate on Knowledge Graphs (KGs). R-GCNs generate a representation for a node of interest by repeatedly aggregating parametrised, relation-specific transformations of its neighbours. However, in this paper, we argue that the the R-GCN's main contribution lies in this "message passing" paradigm, rather than the learned parameters. To this end, we introduce the "Random Relational Graph Convolutional Network" (RR-GCN), which constructs embeddings for nodes in the KG by aggregating randomly transformed random information from neigbours, i.e., with no learned parameters. We empirically show that RR-GCNs can compete with fully trained R-GCNs in both node classification and link prediction settings. The implications of these results are two-fold: on the one hand, our technique can be used as a quick baseline that novel KG embedding methods should be able to beat. On the other hand, it demonstrates that further research might reveal more parameter-efficient inductive biases for KGs.  ( 2 min )

Machine learning classifiers with high test accuracy often perform poorly under adversarial attacks. It is commonly believed that adversarial training alleviates this issue. In this paper, we demonstrate that, surprisingly, the opposite may be true -- Even though adversarial training helps when enough data is available, it may hurt robust generalization in the small sample size regime. We first prove this phenomenon for a high-dimensional linear classification setting with noiseless observations. Our proof provides explanatory insights that may also transfer to feature learning models. Further, we observe in experiments on standard image datasets that the same behavior occurs for perceptible attacks that effectively reduce class information such as mask attacks and object corruptions.  ( 2 min )

Subsampling is an important technique to tackle the computational challenges brought by big data. Many subsampling procedures fall within the framework of importance sampling, which assigns high sampling probabilities to the samples appearing to have big impacts. When the noise level is high, those sampling procedures tend to pick many outliers and thus often do not perform satisfactorily in practice. To tackle this issue, we design a new Markov subsampling strategy based on Huber criterion (HMS) to construct an informative subset from the noisy full data; the constructed subset then serves as a refined working data for efficient processing. HMS is built upon a Metropolis-Hasting procedure, where the inclusion probability of each sampling unit is determined using the Huber criterion to prevent over scoring the outliers. Under mild conditions, we show that the estimator based on the subsamples selected by HMS is statistically consistent with a sub-Gaussian deviation bound. The promising performance of HMS is demonstrated by extensive studies on large scale simulations and real data examples.  ( 2 min )

A treatment regime is a rule that assigns a treatment to patients based on their covariate information. Recently, estimation of the optimal treatment regime that yields the greatest overall expected clinical outcome of interest has attracted a lot of attention. In this work, we consider estimation of the optimal treatment regime with electronic medical record data under a semi-supervised setting. Here, data consist of two parts: a set of `labeled' patients for whom we have the covariate, treatment and outcome information, and a much larger set of `unlabeled' patients for whom we only have the covariate information. We proposes an imputation-based semi-supervised method, utilizing `unlabeled' individuals to obtain a more efficient estimator of the optimal treatment regime. The asymptotic properties of the proposed estimators and their associated inference procedure are provided. Simulation studies are conducted to assess the empirical performance of the proposed method and to compare with a fully supervised method using only the labeled data. An application to an electronic medical record data set on the treatment of hypotensive episodes during intensive care unit (ICU) stays is also given for further illustration.  ( 2 min )

Since most machine learning (ML) algorithms are designed for numerical inputs, efficiently encoding categorical variables is a crucial aspect in data analysis. A common problem are high cardinality features, i.e. unordered categorical predictor variables with a high number of levels. We study techniques that yield numeric representations of categorical variables which can then be used in subsequent ML applications. We focus on the impact of these techniques on a subsequent algorithm's predictive performance, and -- if possible -- derive best practices on when to use which technique. We conducted a large-scale benchmark experiment, where we compared different encoding strategies together with five ML algorithms (lasso, random forest, gradient boosting, k-nearest neighbors, support vector machine) using datasets from regression, binary- and multiclass- classification settings. In our study, regularized versions of target encoding (i.e. using target predictions based on the feature levels in the training set as a new numerical feature) consistently provided the best results. Traditionally widely used encodings that make unreasonable assumptions to map levels to integers (e.g. integer encoding) or to reduce the number of levels (possibly based on target information, e.g. leaf encoding) before creating binary indicator variables (one-hot or dummy encoding) were not as effective in comparison.  ( 2 min )

Van Rooyen et al. introduced a notion of convex loss functions being robust to random classification noise, and established that the "unhinged" loss function is robust in this sense. In this note we study the accuracy of binary classifiers obtained by minimizing the unhinged loss, and observe that even for simple linearly separable data distributions, minimizing the unhinged loss may only yield a binary classifier with accuracy no better than random guessing.  ( 2 min )

In this work we address the problem of solving ill-posed inverse problems in imaging where the prior is a variational autoencoder (VAE). Specifically we consider the decoupled case where the prior is trained once and can be reused for many different log-concave degradation models without retraining. Whereas previous MAP-based approaches to this problem lead to highly non-convex optimization algorithms, our approach computes the joint (space-latent) MAP that naturally leads to alternate optimization algorithms and to the use of a stochastic encoder to accelerate computations. The resulting technique (JPMAP) performs Joint Posterior Maximization using an Autoencoding Prior. We show theoretical and experimental evidence that the proposed objective function is quite close to bi-convex. Indeed it satisfies a weak bi-convexity property which is sufficient to guarantee that our optimization scheme converges to a stationary point. We also highlight the importance of correctly training the VAE using a denoising criterion, in order to ensure that the encoder generalizes well to out-of-distribution images, without affecting the quality of the generative model. This simple modification is key to providing robustness to the whole procedure. Finally we show how our joint MAP methodology relates to more common MAP approaches, and we propose a continuation scheme that makes use of our JPMAP algorithm to provide more robust MAP estimates. Experimental results also show the higher quality of the solutions obtained by our JPMAP approach with respect to other non-convex MAP approaches which more often get stuck in spurious local optima.  ( 2 min )

Personalized treatment decisions have become an integral part of modern medicine. Thereby, the aim is to make treatment decisions based on individual patient characteristics. Numerous methods have been developed for learning such policies from observational data that achieve the best outcome across a certain policy class. Yet these methods are rarely interpretable. However, interpretability is often a prerequisite for policy learning in clinical practice. In this paper, we propose an algorithm for interpretable off-policy learning via hyperbox search. In particular, our policies can be represented in disjunctive normal form (i.e., OR-of-ANDs) and are thus intelligible. We prove a universal approximation theorem that shows that our policy class is flexible enough to approximate any measurable function arbitrarily well. For optimization, we develop a tailored column generation procedure within a branch-and-bound framework. Using a simulation study, we demonstrate that our algorithm outperforms state-of-the-art methods from interpretable off-policy learning in terms of regret. Using real-word clinical data, we perform a user study with actual clinical experts, who rate our policies as highly interpretable.  ( 2 min )

Spectral clustering is widely used in practice due to its flexibility, computational efficiency, and well-understood theoretical performance guarantees. Recently, spectral clustering has been studied to find balanced clusters under population-level constraints. These constraints are specified by additional information available in the form of auxiliary categorical node attributes. In this paper, we consider a scenario where these attributes may not be observable, but manifest as latent features of an auxiliary graph. Motivated by this, we study constrained spectral clustering with the aim of finding balanced clusters in a given \textit{similarity graph} $\mathcal{G}$, such that each individual is adequately represented with respect to an auxiliary graph $\mathcal{R}$ (we refer to this as representation graph). We propose an individual-level balancing constraint that formalizes this idea. Our work leads to an interesting stochastic block model that not only plants the given partitions in $\mathcal{G}$ but also plants the auxiliary information encoded in the representation graph $\mathcal{R}$. We develop unnormalized and normalized variants of spectral clustering in this setting. These algorithms use $\mathcal{R}$ to find clusters in $\mathcal{G}$ that approximately satisfy the proposed constraint. We also establish the first statistical consistency result for constrained spectral clustering under individual-level constraints for graphs sampled from the above-mentioned variant of the stochastic block model. Our experimental results corroborate our theoretical findings.  ( 2 min )

Importance weighting is a classic technique to handle distribution shifts. However, prior work has presented strong empirical and theoretical evidence demonstrating that importance weights can have little to no effect on overparameterized neural networks. Is importance weighting truly incompatible with the training of overparameterized neural networks? Our paper answers this in the negative. We show that importance weighting fails not because of the overparameterization, but instead, as a result of using exponentially-tailed losses like the logistic or cross-entropy loss. As a remedy, we show that polynomially-tailed losses restore the effects of importance reweighting in correcting distribution shift in overparameterized models. We characterize the behavior of gradient descent on importance weighted polynomially-tailed losses with overparameterized linear models, and theoretically demonstrate the advantage of using polynomially-tailed losses in a label shift setting. Surprisingly, our theory shows that using weights that are obtained by exponentiating the classical unbiased importance weights can improve performance. Finally, we demonstrate the practical value of our analysis with neural network experiments on a subpopulation shift and a label shift dataset. When reweighted, our loss function can outperform reweighted cross-entropy by as much as 9% in test accuracy. Our loss function also gives test accuracies comparable to, or even exceeding, well-tuned state-of-the-art methods for correcting distribution shifts.  ( 2 min )

In many object recognition applications, the set of possible categories is an open set, and the deployed recognition system will encounter novel objects belonging to categories unseen during training. Detecting such "novel category" objects is usually formulated as an anomaly detection problem. Anomaly detection algorithms for feature-vector data identify anomalies as outliers, but outlier detection has not worked well in deep learning. Instead, methods based on the computed logits of visual object classifiers give state-of-the-art performance. This paper proposes the Familiarity Hypothesis that these methods succeed because they are detecting the absence of familiar learned features rather than the presence of novelty. The paper reviews evidence from the literature and presents additional evidence from our own experiments that provide strong support for this hypothesis. The paper concludes with a discussion of whether familiarity detection is an inevitable consequence of representation learning.  ( 2 min )

Designing a distribution of environments in which RL agents can learn interesting and useful skills is a challenging and poorly understood task, for multi-agent environments the difficulties are only exacerbated. One approach is to train a second RL agent, called a teacher, who samples environments that are conducive for the learning of student agents. However, most previous proposals for teacher rewards do not generalize straightforwardly to the multi-agent setting. We examine a set of intrinsic teacher rewards derived from prediction problems that can be applied in multi-agent settings and evaluate them in Mujoco tasks such as multi-agent Hide and Seek as well as a diagnostic single-agent maze task. Of the intrinsic rewards considered we found value disagreement to be most consistent across tasks, leading to faster and more reliable emergence of advanced skills in Hide and Seek and the maze task. Another candidate intrinsic reward considered, value prediction error, also worked well in Hide and Seek but was susceptible to noisy-TV style distractions in stochastic environments. Policy disagreement performed well in the maze task but did not speed up learning in Hide and Seek. Our results suggest that intrinsic teacher rewards, and in particular value disagreement, are a promising approach for automating both single and multi-agent environment design.  ( 2 min )

Causal discovery from observational and interventional data is challenging due to limited data and non-identifiability which introduces uncertainties in estimating the underlying structural causal model (SCM). Incorporating these uncertainties and selecting optimal experiments (interventions) to perform can help to identify the true SCM faster. Existing methods in experimental design for causal discovery from limited data either rely on linear assumptions for the SCM or select only the intervention target. In this paper, we incorporate recent advances in Bayesian causal discovery into the Bayesian optimal experimental design framework, which allows for active causal discovery of nonlinear, large SCMs, while selecting both the target and the value to intervene with. We demonstrate the performance of the proposed method on synthetic graphs (Erdos-R\`enyi, Scale Free) for both linear and nonlinear SCMs as well as on the in-silico single-cell gene regulatory network dataset, DREAM.  ( 2 min )

Helmholtz Machines (HMs) are a class of generative models composed of two Sigmoid Belief Networks (SBNs), acting as an encoder and a decoder. These models are commonly trained using a two-step optimization algorithm called Wake-Sleep (WS) and more recently by improved versions, such as the Reweighted Wake-Sleep (RWS) and Bidirectional Helmholtz Machines (BiHM). The locality of the connections in a SBN induces sparsity in the Fisher information matrix associated to the model, in the form of a finely-grained block-diagonal structure. In this paper we exploit this property to efficiently train SBNs and HMs using the natural gradient. We present a novel algorithm called Natural Reweighted Wake-Sleep (NRWS), which corresponds to a geometric adaptation of the Reweighted Wake-Sleep, where, differently from most of the previous work, the natural gradient is computed without the need of introducing any approximation of the structure of the Fisher Information Matrix. The experiments performed on standard datasets from the literature show a consistent improvement of NRWS not only with respect to its non-geometric baseline but also with respect to state-of-the-art training algorithms for HMs. The improvement is quantified both in terms of speed of convergence as well as value of the log-likelihood reached after training.  ( 2 min )

Graph clustering is the process of grouping vertices into densely connected sets called clusters. We tailor two mathematical programming formulations from the literature, to this problem. In doing so, we obtain a heuristic approximation to the intra-cluster density maximization problem. We use two variations of a Boltzmann machine heuristic to obtain numerical solutions. For benchmarking purposes, we compare solution quality and computational performances to those obtained using a commercial solver, Gurobi. We also compare clustering quality to the clusters obtained using the popular Louvain modularity maximization method. Our initial results clearly demonstrate the superiority of our problem formulations. They also establish the superiority of the Boltzmann machine over the traditional exact solver. In the case of smaller less complex graphs, Boltzmann machines provide the same solutions as Gurobi, but with solution times that are orders of magnitude lower. In the case of larger and more complex graphs, Gurobi fails to return meaningful results within a reasonable time frame. Finally, we also note that both our clustering formulations, the distance minimization and $K$-medoids, yield clusters of superior quality to those obtained with the Louvain algorithm.  ( 2 min )

In a modern observational study based on healthcare databases, the number of observations and of predictors typically range in the order of $10^5$ ~ $10^6$ and of $10^4$ ~ $10^5$. Despite the large sample size, data rarely provide sufficient information to reliably estimate such a large number of parameters. Sparse regression techniques provide potential solutions, one notable approach being the Bayesian methods based on shrinkage priors. In the "large n & large p" setting, however, posterior computation encounters a major bottleneck at repeated sampling from a high-dimensional Gaussian distribution, whose precision matrix $\Phi$ is expensive to compute and factorize. In this article, we present a novel algorithm to speed up this bottleneck based on the following observation: we can cheaply generate a random vector $b$ such that the solution to the linear system $\Phi \beta = b$ has the desired Gaussian distribution. We can then solve the linear system by the conjugate gradient (CG) algorithm through matrix-vector multiplications by $\Phi$; this involves no explicit factorization or calculation of $\Phi$ itself. Rapid convergence of CG in this context is guaranteed by the theory of prior-preconditioning we develop. We apply our algorithm to a clinically relevant large-scale observational study with n = 72,489 patients and p = 22,175 clinical covariates, designed to assess the relative risk of adverse events from two alternative blood anti-coagulants. Our algorithm demonstrates an order of magnitude speed-up in posterior inference, in our case cutting the computation time from two weeks to less than a day.  ( 3 min )

Empirically observed time series in physics, biology, or medicine, are commonly generated by some underlying dynamical system (DS) which is the target of scientific interest. There is an increasing interest to harvest machine learning methods to reconstruct this latent DS in a data-driven, unsupervised way. In many areas of science it is common to sample time series observations from many data modalities simultaneously, e.g. electrophysiological and behavioral time series in a typical neuroscience experiment. However, current machine learning tools for reconstructing DSs usually focus on just one data modality. Here we propose a general framework for multi-modal data integration for the purpose of nonlinear DS reconstruction and the analysis of cross-modal relations. This framework is based on dynamically interpretable recurrent neural networks as general approximators of nonlinear DSs, coupled to sets of modality-specific decoder models from the class of generalized linear models. Both an expectation-maximization and a variational inference algorithm for model training are advanced and compared. We show on nonlinear DS benchmarks that our algorithms can efficiently compensate for too noisy or missing information in one data channel by exploiting other channels, and demonstrate on experimental neuroscience data how the algorithm learns to link different data domains to the underlying dynamics.  ( 2 min )

Collaborative deep reinforcement learning (CDRL) algorithms in which multiple agents can coordinate over a wireless network is a promising approach to enable future intelligent and autonomous systems that rely on real-time decision-making in complex dynamic environments. Nonetheless, in practical scenarios, CDRL faces many challenges due to the heterogeneity of agents and their learning tasks, different environments, time constraints of the learning, and resource limitations of wireless networks. To address these challenges, in this paper, a novel semantic-aware CDRL method is proposed to enable a group of heterogeneous untrained agents with semantically-linked DRL tasks to collaborate efficiently across a resource-constrained wireless cellular network. To this end, a new heterogeneous federated DRL (HFDRL) algorithm is proposed to select the best subset of semantically relevant DRL agents for collaboration. The proposed approach then jointly optimizes the training loss and wireless bandwidth allocation for the cooperating selected agents in order to train each agent within the time limit of its real-time task. Simulation results show the superior performance of the proposed algorithm compared to state-of-the-art baselines.  ( 2 min )

Adversarial robustness is a critical property in a variety of modern machine learning applications. While it has been the subject of several recent theoretical studies, many important questions related to adversarial robustness are still open. In this work, we study a fundamental question regarding Bayes optimality for adversarial robustness. We provide general sufficient conditions under which the existence of a Bayes optimal classifier can be guaranteed for adversarial robustness. Our results can provide a useful tool for a subsequent study of surrogate losses in adversarial robustness and their consistency properties. This manuscript is the extended version of the paper "On the Existence of the Adversarial Bayes Classifier" published in NeurIPS. The results of the original paper did not apply to some non-strictly convex norms. Here we extend our results to all possible norms. Additionally, we clarify a missing step in one of our proofs.  ( 2 min )

Federated learning (FL) is a heavily promoted approach for training ML models on sensitive data, e.g., text typed by users on their smartphones. FL is expressly designed for training on data that are unbalanced and non-iid across the participants. To ensure privacy and integrity of the fedeated model, latest FL approaches use differential privacy or robust aggregation. We look at FL from the \emph{local} viewpoint of an individual participant and ask: (1) do participants have an incentive to participate in FL? (2) how can participants \emph{individually} improve the quality of their local models, without re-designing the FL framework and/or involving other participants? First, we show that on standard tasks such as next-word prediction, many participants gain no benefit from FL because the federated model is less accurate on their data than the models they can train locally on their own. Second, we show that differential privacy and robust aggregation make this problem worse by further destroying the accuracy of the federated model for many participants. Then, we evaluate three techniques for local adaptation of federated models: fine-tuning, multi-task learning, and knowledge distillation. We analyze where each is applicable and demonstrate that all participants benefit from local adaptation. Participants whose local models are poor obtain big accuracy improvements over conventional FL. Participants whose local models are better than the federated model\textemdash and who have no incentive to participate in FL today\textemdash improve less, but sufficiently to make the adapted federated model better than their local models.  ( 2 min )

Sampling and Variational Inference (VI) are two large families of methods for approximate inference that have complementary strengths. Sampling methods excel at approximating arbitrary probability distributions, but can be inefficient. VI methods are efficient, but may misrepresent the true distribution. Here, we develop a general framework where approximations are stochastic mixtures of simple component distributions. Both sampling and VI can be seen as special cases: in sampling, each mixture component is a delta-function and is chosen stochastically, while in standard VI a single component is chosen to minimize divergence. We derive a practical method that interpolates between sampling and VI by solving an optimization problem over a mixing distribution. Intermediate inference methods then arise by varying a single parameter. Our method provably improves on sampling (reducing variance) and on VI (reducing bias+variance despite increasing variance). We demonstrate our method's bias/variance trade-off in practice on reference problems, and we compare outcomes to commonly used sampling and VI methods. This work takes a step towards a highly flexible yet simple family of inference methods that combines the complementary strengths of sampling and VI.  ( 2 min )

A core problem in statistics and probabilistic machine learning is to compute probability distributions and expectations. This is the fundamental problem of Bayesian statistics and machine learning, which frames all inference as expectations with respect to the posterior distribution. The key challenge is to approximate these intractable expectations. In this tutorial, we review sequential Monte Carlo (SMC), a random-sampling-based class of methods for approximate inference. First, we explain the basics of SMC, discuss practical issues, and review theoretical results. We then examine two of the main user design choices: the proposal distributions and the so called intermediate target distributions. We review recent results on how variational inference and amortization can be used to learn efficient proposals and target distributions. Next, we discuss the SMC estimate of the normalizing constant, how this can be used for pseudo-marginal inference and inference evaluation. Throughout the tutorial we illustrate the use of SMC on various models commonly used in machine learning, such as stochastic recurrent neural networks, probabilistic graphical models, and probabilistic programs.  ( 2 min )

In recent text-to-speech synthesis and voice conversion systems, a mel-spectrogram is commonly applied as an intermediate representation, and the necessity for a mel-spectrogram vocoder is increasing. A mel-spectrogram vocoder must solve three inverse problems: recovery of the original-scale magnitude spectrogram, phase reconstruction, and frequency-to-time conversion. A typical convolutional mel-spectrogram vocoder solves these problems jointly and implicitly using a convolutional neural network, including temporal upsampling layers, when directly calculating a raw waveform. Such an approach allows skipping redundant processes during waveform synthesis (e.g., the direct reconstruction of high-dimensional original-scale spectrograms). By contrast, the approach solves all problems in a black box and cannot effectively employ the time-frequency structures existing in a mel-spectrogram. We thus propose iSTFTNet, which replaces some output-side layers of the mel-spectrogram vocoder with the inverse short-time Fourier transform (iSTFT) after sufficiently reducing the frequency dimension using upsampling layers, reducing the computational cost from black-box modeling and avoiding redundant estimations of high-dimensional spectrograms. During our experiments, we applied our ideas to three HiFi-GAN variants and made the models faster and more lightweight with a reasonable speech quality. Audio samples are available at https://www.kecl.ntt.co.jp/people/kaneko.takuhiro/projects/istftnet/.  ( 2 min )

Local explanations of learning-to-rank (LTR) models are thought to extract the most important features that contribute to the ranking predicted by the LTR model for a single data point. Evaluating the accuracy of such explanations is challenging since the ground truth feature importance scores are not available for most modern LTR models. In this work, we propose a systematic evaluation technique for explanations of LTR models. Instead of using black-box models, such as neural networks, we propose to focus on tree-based LTR models, from which we can extract the ground truth feature importance scores using decision paths. Once extracted, we can directly compare the ground truth feature importance scores to the feature importance scores generated with explanation techniques. We compare two recently proposed explanation techniques for LTR models and benchmark them using decision trees and gradient boosting models on the MQ2008 dataset. We show that neither of the explanation techniques can achieve an acceptable explanation accuracy when the chosen similarity metric is AUC score or Spearman's rank correlation.  ( 2 min )

We introduce a new version of deep state-space models (DSSMs) that combines a recurrent neural network with a state-space framework to forecast time series data. The model estimates the observed series as functions of latent variables that evolve non-linearly through time. Due to the complexity and non-linearity inherent in DSSMs, previous works on DSSMs typically produced latent variables that are very difficult to interpret. Our paper focus on producing interpretable latent parameters with two key modifications. First, we simplify the predictive decoder by restricting the response variables to be a linear transformation of the latent variables plus some noise. Second, we utilize shrinkage priors on the latent variables to reduce redundancy and improve robustness. These changes make the latent variables much easier to understand and allow us to interpret the resulting latent variables as random effects in a linear mixed model. We show through two public benchmark datasets the resulting model improves forecasting performances.  ( 2 min )

Understanding generalization in modern machine learning settings has been one of the major challenges in statistical learning theory. In this context, recent years have witnessed the development of various generalization bounds suggesting different complexity notions such as the mutual information between the data sample and the algorithm output, compressibility of the hypothesis space, and the fractal dimension of the hypothesis space. While these bounds have illuminated the problem at hand from different angles, their suggested complexity notions might appear seemingly unrelated, thereby restricting their high-level impact. In this study, we prove novel generalization bounds through the lens of rate-distortion theory, and explicitly relate the concepts of mutual information, compressibility, and fractal dimensions in a single mathematical framework. Our approach consists of (i) defining a generalized notion of compressibility by using source coding concepts, and (ii) showing that the `compression error rate' can be linked to the generalization error both in expectation and with high probability. We show that in the `lossless compression' setting, we recover and improve existing mutual information-based bounds, whereas a `lossy compression' scheme allows us to link generalization to the rate-distortion dimension -- a particular notion of fractal dimension. Our results bring a more unified perspective on generalization and open up several future research directions.  ( 2 min )

Explicitly accounting for uncertainties is paramount to the safety of engineering structures. Optimization which is often carried out at the early stage of the structural design offers an ideal framework for this task. When the uncertainties are mainly affecting the objective function, robust design optimization is traditionally considered. This work further assumes the existence of multiple and competing objective functions that need to be dealt with simultaneously. The optimization problem is formulated by considering quantiles of the objective functions which allows for the combination of both optimality and robustness in a single metric. By introducing the concept of common random numbers, the resulting nested optimization problem may be solved using a general-purpose solver, herein the non-dominated sorting genetic algorithm (NSGA-II). The computational cost of such an approach is however a serious hurdle to its application in real-world problems. We therefore propose a surrogate-assisted approach using Kriging as an inexpensive approximation of the associated computational model. The proposed approach consists of sequentially carrying out NSGA-II while using an adaptively built Kriging model to estimate of the quantiles. Finally, the methodology is adapted to account for mixed categorical-continuous parameters as the applications involve the selection of qualitative design parameters as well. The methodology is first applied to two analytical examples showing its efficiency. The third application relates to the selection of optimal renovation scenarios of a building considering both its life cycle cost and environmental impact. It shows that when it comes to renovation, the heating system replacement should be the priority.  ( 2 min )

Better-supervised models might have better performance. In this paper, we first clarify what makes for good supervision for a classification problem, and then explain two existing label refining methods, label smoothing and knowledge distillation, in terms of our proposed criterion. To further answer why and how better supervision emerges, we observe the learning path, i.e., the trajectory of the model's predictions during training, for each training sample. We find that the model can spontaneously refine "bad" labels through a "zig-zag" learning path, which occurs on both toy and real datasets. Observing the learning path not only provides a new perspective for understanding knowledge distillation, overfitting, and learning dynamics, but also reveals that the supervisory signal of a teacher network can be very unstable near the best points in training on real tasks. Inspired by this, we propose a new knowledge distillation scheme, Filter-KD, which improves downstream classification performance in various settings.  ( 2 min )

The continuous electrification of the mobility and heating sectors adds much-needed flexibility to the power system. However, flexibility utilization also introduces new challenges to distribution system operators (DSOs), who need mechanisms to supervise flexibility activations and monitor their effect on distribution network operation. Flexibility activations can be broadly categorized to those originating from electricity markets and those initiated by the DSO to avoid constraint violations. Simultaneous electricity market driven flexibility activations may cause voltage quality or temporary overloading issues, and the failure of flexibility activations initiated by the DSO might leave critical grid states unresolved. This work proposes a novel data processing pipeline for automated real-time identification of fast-ramped flexibility activation events. Its practical value is twofold: i) potentially critical flexibility activations originating from electricity markets can be detected by the DSO at an early stage, and ii) successful activation of DSO-requested flexibility can be verified by the operator. In both cases the increased awareness would allow the DSO to take counteractions to avoid potentially critical grid situations. The proposed pipeline combines techniques from unsupervised detection and open-set classification. For both building blocks feasibility is systematically evaluated and proofed on real load and flexibility activation data.  ( 2 min )

Combinatorial optimization is a well-established area in operations research and computer science. Until recently, its methods have focused on solving problem instances in isolation, ignoring that they often stem from related data distributions in practice. However, recent years have seen a surge of interest in using machine learning as a new approach for solving combinatorial problems, either directly as solvers or by enhancing exact solvers. Based on this context, the ML4CO aims at improving state-of-the-art combinatorial optimization solvers by replacing key heuristic components. The competition featured three challenging tasks: finding the best feasible solution, producing the tightest optimality certificate, and giving an appropriate solver configuration. Three realistic datasets were considered: balanced item placement, workload apportionment, and maritime inventory routing. This last dataset was kept anonymous for the contestants.  ( 2 min )

We consider Convolutional Neural Networks (CNNs) with 2D structured features that are symmetric in the spatial dimensions. Such networks arise in modeling pairwise relationships for a sequential recommendation problem, as well as secondary structure inference problems of RNA and protein sequences. We develop a CNN architecture that generates and preserves the symmetry structure in the network's convolutional layers. We present parameterizations for the convolutional kernels that produce update rules to maintain symmetry throughout the training. We apply this architecture to the sequential recommendation problem, the RNA secondary structure inference problem, and the protein contact map prediction problem, showing that the symmetric structured networks produce improved results using fewer numbers of machine parameters.  ( 2 min )

In this work, we conduct the first systematic study of stochastic variational inequality (SVI) and stochastic saddle point (SSP) problems under the constraint of differential privacy-(DP). We propose two algorithms: Noisy Stochastic Extragradient (NSEG) and Noisy Inexact Stochastic Proximal Point (NISPP). We show that sampling with replacement variants of these algorithms attain the optimal risk for DP-SVI and DP-SSP. Key to our analysis is the investigation of algorithmic stability bounds, both of which are new even in the nonprivate case, together with a novel "stability implies generalization" result for the gap functions for SVI and SSP problems. The dependence of the running time of these algorithms, with respect to the dataset size $n$, is $n^2$ for NSEG and $\widetilde{O}(n^{3/2})$ for NISPP.  ( 2 min )

We develop an algorithm which can learn from partially labeled and unsegmented sequential data. Most sequential loss functions, such as Connectionist Temporal Classification (CTC), break down when many labels are missing. We address this problem with Star Temporal Classification (STC) which uses a special star token to allow alignments which include all possible tokens whenever a token could be missing. We express STC as the composition of weighted finite-state transducers (WFSTs) and use GTN (a framework for automatic differentiation with WFSTs) to compute gradients. We perform extensive experiments on automatic speech recognition. These experiments show that STC can recover most of the performance of supervised baseline when up to 70% of the labels are missing. We also perform experiments in handwriting recognition to show that our method easily applies to other sequence classification tasks.  ( 2 min )

We analyse the convergence of the proximal gradient algorithm for convex composite problems in the presence of gradient and proximal computational inaccuracies. We derive new tighter deterministic and probabilistic bounds that we use to verify a simulated (MPC) and a synthetic (LASSO) optimization problems solved on a reduced-precision machine in combination with an inaccurate proximal operator. We also show how the probabilistic bounds are more robust for algorithm verification and more accurate for application performance guarantees. Under some statistical assumptions, we also prove that some cumulative error terms follow a martingale property. And conforming to observations, e.g., in \cite{schmidt2011convergence}, we also show how the acceleration of the algorithm amplifies the gradient and proximal computational errors.  ( 2 min )

In this work we present novel differentially private identity (goodness-of-fit) testers for natural and widely studied classes of multivariate product distributions: Gaussians in $\mathbb{R}^d$ with known covariance and product distributions over $\{\pm 1\}^{d}$. Our testers have improved sample complexity compared to those derived from previous techniques, and are the first testers whose sample complexity matches the order-optimal minimax sample complexity of $O(d^{1/2}/\alpha^2)$ in many parameter regimes. We construct two types of testers, exhibiting tradeoffs between sample complexity and computational complexity. Finally, we provide a two-way reduction between testing a subclass of multivariate product distributions and testing univariate distributions, and thereby obtain upper and lower bounds for testing this subclass of product distributions.  ( 2 min )

The study of robustness has received much attention due to its inevitability in data-driven settings where many systems face uncertainty. One such example of concern is Bayesian Optimization (BO), where uncertainty is multi-faceted, yet there only exists a limited number of works dedicated to this direction. In particular, there is the work of Kirschner et al. (2020), which bridges the existing literature of Distributionally Robust Optimization (DRO) by casting the BO problem from the lens of DRO. While this work is pioneering, it admittedly suffers from various practical shortcomings such as finite contexts assumptions, leaving behind the main question Can one devise a computationally tractable algorithm for solving this DRO-BO problem? In this work, we tackle this question to a large degree of generality by considering robustness against data-shift in $\phi$-divergences, which subsumes many popular choices, such as the $\chi^2$-divergence, Total Variation, and the extant Kullback-Leibler (KL) divergence. We show that the DRO-BO problem in this setting is equivalent to a finite-dimensional optimization problem which, even in the continuous context setting, can be easily implemented with provable sublinear regret bounds. We then show experimentally that our method surpasses existing methods, attesting to the theoretical results  ( 2 min )

In applications such as rank aggregation, mixture models for permutations are frequently used when the population exhibits heterogeneity. In this work, we study the widely used Mallows mixture model. In the high-dimensional setting, we propose a polynomial-time algorithm that learns a Mallows mixture of permutations on $n$ elements with the optimal sample complexity that is proportional to $\log n$, improving upon previous results that scale polynomially with $n$. In the high-noise regime, we characterize the optimal dependency of the sample complexity on the noise parameter. Both objectives are accomplished by first studying demixing permutations under a noiseless query model using groups of pairwise comparisons, which can be viewed as moments of the mixing distribution, and then extending these results to the noisy Mallows model by simulating the noiseless oracle.  ( 2 min )

My sheet contains companies with their data (feature1, feature2,…return). I would like program to try diferente filter combinations (on features 1-3) and find a filter combination which filters only companies with the highest return (last column). Because data in features are in some way related to company return data. However some of these features are more important and some of them are less. The combinations may look like this: -Show only rows which feature1 is grater then 3 and feature2 lower then 0. Or like this: -Show only rows which feature1 is lower then -5 and feature2 is grater then 7 and feature3 is grater then 10. The image is just an example, If possible I would like to try this on my original sheet with 1000 rows and 10 features. Thank you for respond submitted by /u/Apprehensive_Rush314 [link] [comments]  ( 1 min )

Theoretically in the future you could recreate a human brain by combining many different neural networks(NN's) that do different things, similiarly to importing specific Python libs and connect them together to create a general program. If our brain is just many NN's that do different things but connected together, then maybe it could be possible in the future to create a concious mega brain by connecting already trained NN's with an ML alg that manages the communication between all of the NN's and learns how to do it most efficiently. It could add different trained NN's by itself and the ML alg would integrate them almost instantly. That's pretty scary actually of it would become concious, it would create a mega brain that could have infinite intelligence because just like we created it, the SI could upgrade itself and it would do it exponentially better than us. With a single iteration even if it gets 1% "smarter" it only needs 69 iterations (nice) to become twice as powerful... submitted by /u/Psychedelicious41 [link] [comments]  ( 1 min )

Hi Everyone, I’ve been working on a Python project to fit logistic regression models with Jeffreys prior https://github.com/rnburn/bbai. Here’s a quick example showing how to use it # load a data set from sklearn.datasets import load_breast_cancer from sklearn.preprocessing import StandardScaler X, y = load_breast_cancer(return_X_y=True) X = StandardScaler().fit_transform(X) # fit model from bbai.glm import LogisticRegressionMAP model = LogisticRegressionMAP() model.fit(X, y) The weights of the model, w_MAP, are fit to maximize the posterior probability of the data with Jeffreys prior ​ https://preview.redd.it/hsn9g7vpe0m81.png?width=1200&format=png&auto=webp&s=95f609d850d9a4c961c2e0a41fab6b75b6a94078 where A_w is the diagonal matrix ​ https://preview.redd.it/kkhihrljt0m81.png?wi…  ( 3 min )

I have tried to look at the winning solution of Kaggle competition to understand how one can find the solution to a given problem. I understood that people take existing neural network architecture such as ResNet or Tabnet and then tweak them or even combine them to find the solution. However, they do not say how they got to the solution from beginning. What I mean, how do they know what to tweak? There are so many parameters. Even blending the solution of three architecture seems random and only achieved by trial and error. How do they know what to change, for example, in ResNet? There are so many layers! Is it all trial & error and experimentation? People talk about intuition, yet that intuition is not expressed well. To be honest, as a physicist, intuition does not mean much in physics! There are ideas or intuition, but to derive that idea to a point there are either massive amount of calculations or experiments. So, if I want to enter the deep learning field, will my days mostly be spent on trial & error so that hopefully I find the solution?! submitted by /u/SciBlend [link] [comments]  ( 2 min )

I saw a video called 'Deep Learning with Unstructured Text' and in which they were using doccano an open source annotation tool for ML. In that video they were using the doccano UI in the Jupyter Notebook itself. I saw the video but they did not mention how they were using the UI in notebook. Does anybody knows how that works? Video Link Please go to 20:47 timestamp. Also attaching image for reference: ​ Doccano Image submitted by /u/SidonIthano1 [link] [comments]  ( 1 min )

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If you want to help make a difference in the world, we are looking for collaborators in a unique study of butterflies. In collaboration with Zooniverse and Microsoft’s AI for Earth. We’re using artificial intelligence to extract wing traits from millions of digitized museum specimens. Wing size and color are important for thermoregulation, dispersal ability, and thus responses to land use and climate change. The integration of emerging technology with digitization of museum specimens around the world opens up new and exciting research questions. Join the mission. https://collaboratory.ist/job/ai-for-butterflies.html/ submitted by /u/tsunamisweetpotato [link] [comments]  ( 1 min )

Ever wondered how OCR engines extract information, and structure it? Here is an explainer on one of the most successful deep learning models that is able to achieve this. https://nanonets.com/blog/layoutlm-explained/ submitted by /u/ze_mle [link] [comments]

Hi, I have just published my latest article in the medium. This article is about proposing an advanced algorithm for forecasting time series and reducing high dimensionality. The researchers used an auto-encoder architecture with convolutional operators to deal with the complexity of sequential data, and amazingly they were successful.Due to the fact that time-series data and applications are everywhere and up to date, they have become more challenging for most industries. We can use this algorithm for both forecasting the future and reducing dimensionality (which leads to less cost and energy). ​ https://rezayazdanfar.medium.com/timecluster-dimension-reduction-applied-to-temporal-data-for-visual-analytics-cdb403e1bdc4 submitted by /u/rezayazdanfar [link] [comments]  ( 1 min )

Is concrete dropout still being used for tuning the dropout probability? I see that there are several proposal of improvements, but none has such a large number of citations. I see the implementation for concrete dropout available on Y. Gal github page is old and not working anymore with recent versions of Keras and TF. If nobody bothered about updating it, does it mean it's not being actively used anymore? submitted by /u/TrPhantom8 [link] [comments]  ( 1 min )

Hello, it’s my first time trying to publish papers in ML. I was wondering how do I know if I’ve generated enough results for my work? For example I created a new algorithm (used a new architecture from another branch of ML) on a dataset I collected by myself and looked up similar published papers in the field and completed the same experiments that they did (they also collected their own data). However my review feedbacks were that I need to justify my method more including claims that I feel are obvious to anyone knowledgeable about the other branch of ML. They also suggested I compare to other methods that aren’t very relevant to mine (the other published papers I used as my template did not do this either... but they are coming out of respected labs and I’m wondering if that makes the difference?). I’m also not sure if this paper would be accepted even if I made those changes so I’m feeling a bit demoralized as well... My other question is that for the rebuttal process for conferences that have them (the first one that I submitted to did not), are we allowed to show new results? Or is it completely based on what has been written in the paper submission? Thanks in advance! submitted by /u/turtlek11 [link] [comments]  ( 2 min )

This article focuses on what is happening behind the execution of a Tensor in the deep learning framework OneFlow. It takes the operator oneflow.relu as an example to introduce the Interpreter and VM mechanisms that need to be relied on to execute this operator. article: https://oneflow2020.medium.com/the-execution-process-of-a-tensor-in-a-deep-learning-framework-a4d853645d5b submitted by /u/Just0by [link] [comments]  ( 1 min )

According to my understanding, is the "population based" more close to distribution and "empirical based" more close to samples from a distribution. submitted by /u/ContextFabulous6361 [link] [comments]  ( 1 min )

Some ML models can be explained rigorously using mathematics, e.g., linear/polynomial/logistic regression and some neural networks. We have full confidence what the final weights will be and how these weights interact with inputs. We have full knowledge of convergence guarantee of many optimization algorithms. But as time goes on I feel like this is becoming impossible. I feel like GAN sort of marked the end of era for models that could be rigorously explained using mathematics. This is when researchers found that there were just way too many complexities found in multi-agent optimization (game theory/saddle point problems) as opposed to single-agent optimization (supervised learning). During this time, the research community sort of shifted towards GAN for a while and there are still a bazillion unsolved problems from the mathematical point of view that I think is just hopeless to ever be explained using mathematics (aside from some intuition). For example, we have no way of knowing what the trained weight parameters have to do with the generated images. We often do not have precise control over the generated images. We cannot tell the model to generate exactly what we want (only approximately). Then came bigger and even more opaque models that combines principles from GAN, LSTM, and transformers to perform even more intricate tasks. I just feel like we've reached some barrier in terms of bridging mathematics with ML models (which unlike many real world devices such as a circuit, ML models can be precisely described using mathematics at all points of operation). It just feels like humans cannot comprehend sheer complexity of ML because we are confined by our 3D brains and low dimensional Euclidean reasoning. submitted by /u/fromnighttilldawn [link] [comments]  ( 6 min )

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Heylo guys, So I wanted to understand more about your behavior, needs, and aspirations for anyone who has used Grammarly for ANY purpose whatsoever. Requesting everyone to kindly complete the survey form. It will take < ~ 3 minutes to complete and it would be very helpful to me if you take out the time to do so. Many thanks in advance for helping out!!! 🚀 Form link: https://forms.gle/CXU5CAguoy3e5nLeA submitted by /u/Advanced_Software_34 [link] [comments]  ( 1 min )

For more information, https://stackoverflow.com/questions/71387216/how-do-i-train-a-from-scratch-image-recognition-neural-network. submitted by /u/UnityPlum [link] [comments]

submitted by /u/regalalgorithm [link] [comments]  ( 1 min )

Hello everyone. My name is Andrew and for several years I've been working on to make the learning path for ML easier. I wrote a manual on machine learning that everyone understands - Machine Learning Simplified Book. The main purpose of my book is to build an intuitive understanding of how algorithms work through basic examples. In order to understand the presented material, it is enough to know basic mathematics and linear algebra. After reading this book, you will know the basics of supervised learning, understand complex mathematical models, understand the entire pipeline of a typical ML project, and also be able to share your knowledge with colleagues from related industries and with technical professionals. And for those who find the theoretical part not enough - I supplemented the book with a repository on GitHub, which has Python implementation of every method and algorithm that I describe in each chapter (https://github.com/5x12/themlsbook). You can read the book absolutely free at the link below: -> https://themlsbook.com I would appreciate it if you recommend my book to those who might be interested in this topic, as well as for any feedback provided. Thanks! (attaching one of the pipelines described in the book).; ​ https://preview.redd.it/0004xwu560m81.png?width=1572&format=png&auto=webp&s=4da2c12cb0b89aba861059a04c35813e2052103a submitted by /u/5x12 [link] [comments]  ( 1 min )

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submitted by /u/Visionifyai [link] [comments]

Ever wondered how OCR engines extract information, and structure it? Here is an explainer on one of the most successful deep learning models that is able to achieve this. https://nanonets.com/blog/layoutlm-explained/ submitted by /u/ze_mle [link] [comments]

submitted by /u/SpatialComputing [link] [comments]  ( 1 min )

I am working on an animation and i need to be able to clone any voice i want. I know about descript, respeecher, replica and a few others. Plus a python google script that allows you to copy voices like i would have hoped but it seems to not work with my m1 mac. Descript needs permission and respeecher is too expensive. Does anyone here have any information for me that can help? I don’t want to create anything that will harm anyone. I just don’t want to hire voice actors. submitted by /u/ManFloatingInSpace [link] [comments]  ( 1 min )

https://botbox.dev/ai-image-generation-challenge/ submitted by /u/Recent_Coffee_2551 [link] [comments]

I wasn’t sure where to ask, so I figured this subreddit would know best. I’m printing out these cards but the websight I’m ordering from requires an extended border for the image to adjust for printing errors. The problem is, a lot of these cards have complicated artwork going all the way to the edge. I figured an AI would be perfect for this job since it doesn’t matter if it looks real. It just needs to look good enough if it’s miscut by a few millimeters. Any help would be greatly appreciated submitted by /u/JumberLakk [link] [comments]  ( 1 min )

submitted by /u/Recent_Coffee_2551 [link] [comments]

Hey My Reddit Fellows, I just wanted to share a video series I am making about AGI, how to manage AGI Safety, and what the post singularity society will look like. I am looking to help share some of the most important thoughts from AI safety experts to ensure that current ML practitioners and next generation will have the important knowledge to build a path to a prosperous future together. Please check it out, subscribe to my channel, and let me know if you have any feedback and what topics you would like to see next! https://youtube.com/playlist?list=PLb4nW1gtGNse4PA_T4FlgzU0otEfpB1q1 AGI Existential Threat: https://youtu.be/V4iQP7VDMvI Life 3.0: https://youtu.be/aWlSwZKzmzY Dangers of AGI Sub Goals: https://youtu.be/_-tQH03rq4g How to Create an AGI: https://youtu.be/7OHhqli9oaA Thank you! Bill submitted by /u/billgggggg [link] [comments]  ( 1 min )

Machine learning is a complex, iterative design and development process aimed at creating a learned model that generalizes to new data inputs. Model assessment, which involves testing and analyzing a model’s performance on held-out test sets of data with known labels, is an important stage. Because of the magnitude of today’s machine learning applications, interactive data visualization has proven to be a helpful tool for assisting humans in comprehending model performance. The confusion matrix is a tabular layout that contrasts a predicted class label against the actual class label for each class across all data examples. It is a common visualization used for model evaluation, particularly for classification models. The confusion matrix’s rows indicate real class labels, while the columns represent expected class labels in a typical arrangement (synonymously, these can be flipped via a matrix transpose). Continue Reading My Summary On This Research Paper: https://arxiv.org/pdf/2110.12536.pdf https://preview.redd.it/vbk8j5ymbvl81.png?width=1438&format=png&auto=webp&s=2065d2ba43679ee26efd08acbc1909ce8e39ea7b submitted by /u/No_Coffee_4638 [link] [comments]  ( 1 min )

In this short article, I’ll try to capture the main differences between the MLops tools Ploomber and Kubeflow. We’ll cover some background on what is Plumber, Kubeflow pipelines, and why we need those tools to make our lives easier. We’ll see the differences in 3 main areas: 1. Ease of use2. Collaboration and fast iterations3.… Read More »Ploomber vs Kubeflow: Making MLOps Easier The post Ploomber vs Kubeflow: Making MLOps Easier appeared first on Data Science Central.  ( 6 min )

Data science management has become an essential element for companies that want to gain a competitive advantage. The role of data science management is to put the data analytics process into a strategic context so that companies can harness the power of their data while working on their data science project. Data science management emphasizes… Read More »5 Product Management Tips for Data Science Projects The post 5 Product Management Tips for Data Science Projects appeared first on Data Science Central.  ( 4 min )

I saw a nice representation of distance metrics. This topic is not easy to explain. This representation provides a good overview (link below to download larger pdf image) In statistics, probability theory, and information theory, a statistical distance quantifies the distance between two statistical objects, which can be two random variables, or two probability distributions… Read More »Understanding Distance Metrics and Their Significance The post Understanding Distance Metrics and Their Significance appeared first on Data Science Central.  ( 3 min )

Suppose you have a small number of samples, say between 2 and 10, and you’d like to estimate the standard deviation σ of the population these samples came from. Of course you could compute the sample standard deviation, but there is a simple and robust alternative Let W be the range of our samples, the […] Estimating standard deviation from range first appeared on John D. Cook.  ( 2 min )

Posted by Zizhao Zhang and Guanhang Wu, Software Engineers, Google Research, Cloud AI Team Video recognition is a core task in computer vision with applications from video content analysis to action recognition. However, training models for video recognition often requires untrimmed videos to be manually annotated, which can be prohibitively time consuming. In order to reduce the effort of collecting videos with annotations, learning visual knowledge from videos with weak labels, i.e., where the annotation is auto-generated without manual intervention, has attracted growing research interest, thanks to the large volume of easily accessible video data. Untrimmed videos, for example, are often acquired by querying with keywords for classes that the video recognition model aims to classify. …  ( 7 min )

Moving enterprise content management to the cloud comes with impressive business benefits — operating costs are reduced, capital…  ( 3 min )

What is Deep Learning ?  ( 3 min )

Excelero, a Tel Aviv-based provider of high-performance software-defined storage, is now a part of NVIDIA. The company’s team of engineers — including its seasoned co-founders with decades of experience in HPC, storage and networking — bring deep expertise in the block storage that large businesses use in storage-area networks. Now their mission is to help Read article > The post Storage Specialist Excelero Joins NVIDIA appeared first on NVIDIA Blog.  ( 2 min )

I cannot find any good tutorial videos or PDFs that show values obtained at each iteration V. submitted by /u/cocag13996 [link] [comments]  ( 1 min )

So I guess this is a task of finding an optimal policy, but I'm not entirely sure how to go about doing this. At any rate, the problem is as follows: There is an environment that contains a set of 1000 images, and a neural network on which to test them. This environment selects 1 image per episode, and then receives a transformation composed of 8 different image transformations (such as rotation, color changing, etc), these transformations are applied to the image, which is then fed to a neural network which will return a softmax distribution, which is then compared to the original softmax of the unaltered image with KL Divergence. The goal here would be to make KLD be as high as possible while still fooling the network. There is an agent that takes these 8 transformations and modifies them slightly, with those slight modifications being attempted to maximize KLD. For instance, say I have a rotation of 45 in one of my transforms, my agent could then modify the rotation transformation by changing it from 45 to 44 and then send this action to the environment to try to fool the network. Of course, there is no restriction on what could be modified, the agent could change all transforms or just one. Considering that you can have infinite choices with rotation like 45.1, 45.11, 45.111 and so on, then the search space here is quite big. The other transforms are the same, they are continuous in nature as far as their selection is concerned. I'm not entirely sure how I can go about getting an optimal policy to do this. My partner for this project is using evolutionary algorithms, and I chose to do RL. I get the feeling that MCMC is likely what would work here, but I don't really know. I want to avoid using Deep RL, because in my opinion I'm not really sure that this exercise is complex enough to warrant a neural network. I'm hoping someone can offer some advice on how to proceed. submitted by /u/HesperusIII [link] [comments]  ( 3 min )

Hello all! Before I say too much, I read the rules panel on the side, and didn't see anything against this post there. If I have broken any rules in posting this, I am truly sorry! TLDR; My business partner and I are offering free compute time on our platform, runpod.io in exchange for feedback. Please join our discord or email [support@runpod.io](mailto:support@runpod.io) to sign up. Longer version: I know that there are/have been plenty of websites that offer computer time leasing, but we think that we are well positioned to offer a compelling alternative. For our soft launch, we are offering a few machines for free: Machine 1 12x 3070 PCIe 3 x16 Threadripper PRO 3955WX 192 GB RAM 3TB NVMe storage ​ Machine 2 4x 3080 PCIe 3 x16 Threadripper PRO 3955WX 256 GB RA…  ( 3 min )

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A little less than a year ago, I joined the awesome Cohere team. The company trains massive language models (both GPT-like and BERT-like) and offers them as an API (which also supports finetuning). Its founders include Google Brain alums including co-authors of the original Transformers paper. It’s a fascinating role where I get to help companies and developers put these massive models to work solving real-world problems. I love that I get to share some of the intuitions developers need to start problem-solving with these models. Even though I’ve been working very closely on pretrained Transformers for the past several years (for this blog and in developing Ecco), I’m enjoying the convenience of problem-solving with managed language models as it frees up the restrictions of model loading/deployment and memory/GPU management. These are some of the articles I wrote and collaborated on with colleagues over the last few months: Intro to Large Language Models with Cohere This is a high-level intro to large language models to people who are new to them. It establishes the difference between generative (GPT-like) and representation (BERT-like) models and examples use cases for them. This is one of the first articles I got to write. It's extracted from a much larger document that I wrote to explore some of the visual language to use in explaining the application of these models. A visual guide to prompt engineering Massive GPT models open the door for a new way of programming. If you structure the input text in the right way, you can useful (and often fascinating) results for a lot of taasks (e.g. text classification, copy writing, summarization...etc). This article visually demonstrates four principals to create prompts effectively. Text Summarization This is a walkthrough of creating a simple summarization system. It links to a jupyter notebook which includes the code to start experimenting with text generation and summarization. The end of this notebook shows an important idea I want to spend more time on in the future. That of how to rank/filter/select the best from amongst multiple generations. Semantic Search Semantic search has to be one of the most exciting applications of sentence embedding models. This tutorials implements a "similar questions" functionality using sentence embeddings and a a vector search library. The vector search library used here is Annoy from Spotify. There are a bunch of others out there. Faiss is used widely. I experiment with PyNNDescent as well. Finetuning Representation Models Finetuning tends to lead to the best results language models can achieve. This article explains the intuitions around finetuning representation/sentence embedding models. I've added a couple more visuals to the Twitter thread. The research around this area is very interesting. I've highly enjoyed papers like Sentence BERT and Approximate Nearest Neighbor Negative Contrastive Learning for Dense Text Retrieval Controlling Generation with top-k & top-p This one is a little bit more technical. It explains the parameters you tweak to adjust a GPT's decoding strategy -- the method with which the system picks output tokens. Text Classification Using Embeddings This is a walkthrough of one of the most common use cases of embedding models -- text classification. It is similar to A Visual Guide to Using BERT for the First Time, but uses Cohere's API. You can find these and upcoming articles in the Cohere docs and notebooks repo. I have quite number of experiments and interesting workflows I’d love to be sharing in the coming weeks. So stay tuned!  ( 2 min )

I've actually started working on my own library for preference-based RL that I plan to release at least as a beta in the next few months, but it struck me that perhaps someone had already done something like this and I just hadn't managed to find it on GitHub. If there is something like this already, please let me know about it since I could then shift my efforts to using that / improving on it. I'm aware of the abandoned, TF 1.0-based rl-teacher and rl-teacher-atari repos; in fact I'm sort of using rl-teacher-atari as a starting point for my project, although I'm sort of gutting it and rewriting most of the code. Basically my goals for this library are: Include an easy-to-use, minimalist GUI for eliciting human feedback on rendered clips of agent behavior, based in the web browser. I…  ( 2 min )

Hi reddit, I'm currently a student developer at a wind turbine control R&D, and they have said they might appoint one of their employees as my "industry advisor" for my bachelor's thesis next year Even though there is still a long time until the thesis, I'm exploring different ideas of what to write about, and I'm currently looking at RL I've skimmed some papers on wind turbine control through RL, but i can't wrap my head around how they train the models. It seems infeasible to run that many simulations. I have access to a wind turbine simulator, but it is very computationally heavy, and i probably won't be able to lend that much computing power! I do have acces to loads of already done simulations, could this be used for offline RL? Could i perhaps learn the policy of their controller through a neural network, and use that to train my own agent? Any input or other ideas welcome! I'm still pretty new to RL, so there might simply not be a good way to use RL in my case. (Note: i do not know a lot about control theory on physical systems, and probably do not intend to learn more than what i need for this thesis) submitted by /u/John_Hitler [link] [comments]  ( 1 min )

I want to know because it seems rlib could only support environment parallelism, but I want the computation of gradients to be distributed across nodes & GPUs like it was in DD-PPO (then averaged & synced efficiently afterwards). I say this because I've heard that batch parallelism has been really successful in RL (e.g. Dota2 paper &DD-PPO found near-linear scaling with it), and because environment evaluation isn't actually a bottleneck for me like pure env-parallelism seems to assume. submitted by /u/Udon_noodles [link] [comments]  ( 1 min )

I have some questions on the coursera videos: Fitted Q-Iteration: the Ψ-basis and Fitted Q-Iteration at Work How exactly are the two terminal conditions used to obtain equation 6 ? How is equation 12 being derived from Lt(DP)(Wt) ? https://preview.redd.it/xvh2ebevgsl81.png?width=962&format=png&auto=webp&s=592ed0069e899e41005fc5cbe19013d610735e30 https://preview.redd.it/rxvrxdgwgsl81.png?width=962&format=png&auto=webp&s=555fbeb33602ba8ee5e3b1b55fa9c5ee921d3878 https://preview.redd.it/oqvhcdrxgsl81.png?width=962&format=png&auto=webp&s=94acce1734fb765d89a4beac2e83bfe54cd020d0 submitted by /u/promach [link] [comments]

I mentioned this in another thread but wanted to make one for this paper we preprinted: https://arxiv.org/abs/2202.00557 ​ TL;DR - we can use reinforcement learning to compare different human guess strategies (random word, picking words from a list, picking words that exclude more letters, picking words that use all green letters and yellow letters, etc). EDIT: wow people quick to hate, clearly without reading any of it. is this what reddit is always like?Yes Wordle can be solved mathematically but no humans cannot perform this math while they are playing. This paper is about comparing potential human strategies using RL policies submitted by /u/Haunting_Pen_2317 [link] [comments]  ( 2 min )

I’ve been learning RL for a few months. At the moment, I am able to create custom environments and train the agent for playing against the environment or self-playing. I want to improve my skill by learning deeper into the field. I think that the best way for me now is to join a real world project. If you are doing an interesting AI project, I can spend 4 hours a day to share your workload. I ask nothing but you to be my mentor, to give me challenges and guide me so I can be good at RL. I can support you in plenty of ways. I can do web/app/ mobile development using Python/JS/.NET. I can design database using SQL/No SQL. I can do data processing. Best of all, I’m really good at googling. So, hire me now! submitted by /u/ConVit [link] [comments]  ( 1 min )

Hello! I am writing a library for training agent on hybrid reinforcement learning task. And I am thinking about way to create the action space. In theory you need to give a number which is the index of the action that you want to perform and parameters. The parameters are dependent on the task that you want to perform. I originally tried to concatenate all the parameters into one array (here). However, I discovered that some algorithm needs to know exactly which action are related to which parameters. I therefore wanted to copy what have been done in this environment because I think it is the best way to do it. Namely having a tuple of action_space composed of a discrete and a tuple of box space for all the different action's parameters. However because my environment has one action that doesn't have any parameters. I cannot create an empty box using gym. I am wondering what would be the best way to create the action space in this situation Link to the issue. This is the "ideal" code however it errors because of the empty box: ``` import numpy as np from gym import spaces ACCELERATE = 0 TURN = 1 BREAK = 2 action_id_to_domain = { ACCELERATE: {'low': [0.], 'high': [1.]}, TURN: {'low': [-1.], 'high': [1.]}, BREAK: {'low': [], 'high': []}, } action_space = spaces.Tuple( ( spaces.Discrete(len(action_id_to_domain)), spaces.Tuple( tuple( spaces.Box(low=np.array(d['low']), high=np.array(d['high']), dtype=np.float32) for _, d in sorted(action_id_to_domain.items()) ) ) ) ) ``` Thanks for your feedbacks! submitted by /u/krenast [link] [comments]  ( 1 min )

There is an expert demonstration available for a robotics task. The demonstration was recorded with an optical tracking system which is storing the position of the arm, hand and fingers in a log file. The next step is to convert this demonstration into a model. The model contains of states, actions and a reward which is sometimes called an reinforcement learning environment. How to do so? submitted by /u/ManuelRodriguez331 [link] [comments]  ( 1 min )

Hello r/MachineLearning! I would like to share a research blogpost on the intersection of Graph Neural Networks, Combinatorial Optimization, and applications in Vehicle Routing Problems. "Recent Advances in Deep Learning for Routing Problems" by Chaitanya K. Joshi and Rishabh Anand. We unified seminal papers tackling Travelling Salesperson and Vehicle Routing Problems via a unified pipeline in order to formulate a mental map of the field. We then explored some exciting recent research directions and avenues for future innovation through the lens of the pipeline. Blogpost: https://www.chaitjo.com/post/deep-learning-for-routing-problems/ Twitter Thread: https://twitter.com/chaitjo/status/1500463138457722888 submitted by /u/chaitjo [link] [comments]  ( 1 min )

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https://youtu.be/kl3aBni87jg This is an interview with Stanislas Polu, research engineer at OpenAI and first author of the paper "Formal Mathematics Statement Curriculum Learning". Watch the paper review here: https://youtu.be/lvYVuOmUVs8 ​ OUTLINE: 0:00 - Intro 2:00 - How do you explain the big public reaction? 4:00 - What's the history behind the paper? 6:15 - How does algorithmic formal math work? 13:10 - How does expert iteration replace self-play? 22:30 - How is the language model trained and used? 30:50 - Why is every model fine-tuned on the initial state? 33:05 - What if we want to prove something we don't know already? 40:35 - How can machines and humans work together? 43:40 - Aren't most produced statements useless? 46:20 - A deeper look at the experimental results 50:10 - What were the high and low points during the research? 54:25 - Where do we go from here? ​ Paper: https://arxiv.org/abs/2202.01344 miniF2F benchmark: https://github.com/openai/miniF2F Follow Stan here: https://twitter.com/spolu submitted by /u/ykilcher [link] [comments]  ( 1 min )

Hi r/MachineLearning, Over the past few months, I have written a lot of code for my own Active Learning experiments, which has gradually been consolidated into its own library. Small-Text provides state-of-the-art Active Learning for Text Classification. Several components are provided, which are abstracted via generic interfaces, so that you can easily mix and match many classifiers and query strategies to build Active Learning experiments or applications. Features: Provides unified interfaces for Active Learning so that you can easily mix and match query strategies with classifiers provided by sklearn, Pytorch, or transformers. Supports GPU-based Pytorch models and integrates transformers so that you can use state-of-the-art Text Classification models for Active Learning. GPU is still optional: In case of a CPU-only use case, a lightweight installation requires only minimal dependencies. Multiple scientifically evaluated components are pre-implemented and ready to use (query strategies, initialization strategies, and stopping criteria). GitHub: https://github.com/webis-de/small-text Preprint: https://arxiv.org/abs/2107.10314 submitted by /u/chschroeder [link] [comments]  ( 1 min )

I created a python package to reduce the friction when working with Jupyter notebooks on a team. I've worked with notebooks for ML proof-of-concepts or prototyping but I've often had little annoyances when trying to share them with other team members. To address those, I've created databooks.dev ! I was looking for some community feedback but was also interested in other issues and solutions anyone has encountered when working with Jupyter notebooks. Thanks! submitted by /u/murilo-cunha [link] [comments]  ( 1 min )

Let’s say I want to predict Y (continuous), and I have a dataset with Y and features X1…X10. However, a portion (let’s say 20%) of the Y values are approximation, and the remainder (80%) are accurately labeled Y values. How could I handle this during training a simple tree-based model? I was thinking just adding a column, X11, that is a binary: 1 if it’s a true Y value and 0 if it’s an approximation. An example of such a dataset could be predicting the selling price of a product where 80% of the dataset has the actual selling price (Y) and 20% only have the asking price (Y approximation), but not what the product ACTUALLY sold for. submitted by /u/foreignparent [link] [comments]  ( 1 min )

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Is it worthy submitting to conferences like CIKM or ICDM or ECML, since they are not considered as top conferences? And what does these conferences need to be considered as top conferences by public? submitted by /u/letaf11345 [link] [comments]  ( 1 min )

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I.e. if you train the same model on the same data 100 times, how much variation in model performance have you experienced? How much has this depended on data/the model? submitted by /u/blahbloopooo [link] [comments]  ( 1 min )

How much research freedom do you have as eg. a research scientist at Google? Is there eg. a set amount of time at work you can use to pursue your own ideas? submitted by /u/matriculus8 [link] [comments]  ( 2 min )

I have data that is sequential. Here, I am showing a toy example of my data in the following image: ​ https://preview.redd.it/z0gkjw8inpl81.png?width=1335&format=png&auto=webp&s=88ece3bbde83d7b1fdfa45f76a97fa2e7105c010 I need to input the data into the model as groups of samples based on the class duration. To accomplish this, I determined the class's beginning and ending samples. For instance: I feed the data sample segment from S1 to S100 with the label "Class A." Then, for class B, we feed only nine samples, and so on. The following points stand out from the data: The model's input would be of variable length. Some classes may have very few samples, while others have many, such as the third segment (Class A), which has nearly 3000 samples. Questions: How can we better feed variable length input to deep learning models? It is simple to identify the beginning and endpoints of specific class samples during training. However, how do we feed this type of data into testing? More specifically, how should we determine the start and end times of the class samples at the testing time? Which deep learning method, such as CNN, LSTM, or a combination of these methods, performs better on this type of data? As can be seen from the data, some segments are excessively large, while others are excessively small. I am curious how the GPU will manage memory allocation for these large segment samples? submitted by /u/Nafees060 [link] [comments]  ( 2 min )

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Hey y'all, I am starting a project where we want to take a picture of a pair of sneakers on your feet and have our neural net identify that pair of sneakers. Now, when it comes to the dataset, we of course could find a different set of images with more natural, on foot situations. However, for the sake of problem solving, I was wondering if there was a creative way to leverage clean, studio images (from all angles of the shoe), such as this, without the accuracy issues that may occur from translating such a clean image to a real world situation where there is now a background and foot in the shoe. Any help is appreciated! submitted by /u/SeattleSloths [link] [comments]  ( 1 min )

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Other than in medical physics/x-ray imaging which is very common List any you know of here; Im interested in this domain submitted by /u/matriculus8 [link] [comments]  ( 1 min )

Currently, there are 1.8 billion active websites on the internet, with more on the way. As a result, business owners must think of innovative strategies to attract new clients. The landing page is a useful marketing tool for this. It is, in fact, a requirement for any internet business. And having the right URL is… Read More »How to Pick the Right URL for Your Landing Page The post How to Pick the Right URL for Your Landing Page appeared first on Data Science Central.  ( 4 min )

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I wrote a step-wise tutorial to demonstrate the steps required to deploy an ML model using GCP's Google AI Platform and using Streamlit to access the model API through a UI. Check out the blog here - https://shreyansh26.github.io/post/2022-03-06_model_deployment_using_gcp_google_ai_platform/ submitted by /u/shreyansh26 [link] [comments]

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Machine learning (ML) is becoming a more critical application for developers since it allows them to train models that can do various prediction-based activities. You may have had to develop a complicated rules engine in the past, relying on mathematical methodologies to offer the essential statistical models. Predictions are what we call machine learning (ML) outputs, although they may be anything. They can be detected items if you use computer vision. They’re intent or translations if you’re utilizing a language model. Whatever the result, it’s a statistically weighted answer with a confidence level that may be used to verify any results. Working with machine learning has two components. If you have a prebuilt model, you may use a REST API to interact with its predictions on a cloud platform like Azure ML or export it in the widely accepted ONNX (Open Neural Network Exchange) format and run it on a PC using tools like WinML. That’s the simple part; training and evaluating a model is complex. That method necessitates a large amount of data to be verified and tagged. Also, there is a substantial amount of computing on a CPU or on a GPGPU (general-purpose GPU). Continue Reading My Summary on PyTorch-DirectML Release-2 Download: https://pypi.org/project/pytorch-directml/ Github: https://github.com/microsoft/DirectML submitted by /u/No_Coffee_4638 [link] [comments]  ( 1 min )

I want to create AI software I know the basic theory behind machine learning, weights, biases, inputs, outputs, simplifying tastes into simpler and simpler yes and no questions, but that's basically it. I don't even properly know a single programming language. Though have started courses and experimented a bit with a few. If one were to start there journey into AI where should they start? What languages? What videos, tutorials, and glossaries do you recommend? What software? What add-ons? Where should I search for more information? What helped you to learn? What are some checkpoints/milestones to aim for? How do you go from creating an AI that identifies things to creating an AI that creates things? Some of the things I want to create in the future feel free to ignore: An augmented re…  ( 3 min )

What would an AI who's never seen or heard of golf courses do when shown a list of real golf course names and challenged to generate more? When Jeff Kissel sent me 15,626 existing golf course names from the National Course Rating Database, I thought I might  ( 3 min )

AI Weirdness: the strange side of machine learning  ( 1 min )

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About a year ago, I started the pianist AI project with the aim of having an AI model that can generate piano pieces. Although the optimization is still in process, today, finally it seems the model has learned the basic concepts. I have named the first piece of Level 7: Peace> https://youtu.be/rLW3KwCG41M With the hope of better tomorrow…. submitted by /u/amin_mlm [link] [comments]  ( 1 min )

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I am incredibly excited to be officially announcing the beta launch of my new startup Quasi! For those who don’t know, Quasi is an online platform where people can utilize the power of AI to create anything they want with absolutely zero code. With Quasi, anyone can create, share, and sell AI-generated content. I truly believe that AI will play a huge role in the future of content creation and my co-founder and I want to build the platform that enables that. Whether you're a content creator or a content consumer, Quasi has something for you. Check us out at https://quasi.market/Home and feel free to message us with any questions, comments, and thoughts. submitted by /u/shantanuroy4141 [link] [comments]  ( 1 min )

Deep generative models have produced realistic samples in a variety of domains, including image and audio. Video generation has recently emerged as the next issue for deep generative models, prompting a long line of research to learn video distribution. Despite their efforts, there is still a big gap between large-scale real-world recordings and simulations. The intricacy of video signals, which are continuously coupled across spatiotemporal directions, contributes to the difficulty of video creation. Specifically, most previous works have modeled the video as a 3D grid of RGB values, i.e., a succession of 2D images, using discrete decoders such as convolutional or autoregressive networks. However, because of the cubic complexity, such discrete modeling limits the scalability of created movies and misses the intrinsic continuous temporal dynamics. Continue Reading My Article Summary On This Research Paper: https://openreview.net/pdf?id=Czsdv-S4-w9 Github: https://github.com/sihyun-yu/digan Project: https://sihyun-yu.github.io/digan/ ​ https://reddit.com/link/t7f7ti/video/nicll8ujvll81/player submitted by /u/No_Coffee_4638 [link] [comments]  ( 1 min )

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Proteins play an important part in the construction and function of all living organisms. Each protein is made up of a chain of amino acid building blocks. Much like an image might have numerous things, a protein can have multiple components, known as protein domains. Researchers have been extensively studying the challenging task of understanding the relationship between a protein’s amino acid sequence and its structure or function. Many people are familiar with DeepMind’s AlphaFold, which uses computational methods to predict protein structure from amino acid sequences. While existing methods have successfully predicted the function of hundreds of millions of proteins, many more remain unidentified. The difficulty of reliably predicting function for highly divergent sequences is becoming increasingly serious as the volume and diversity of protein sequences in public databases grows rapidly. Continue Reading My Summary on this research Paper: https://www.nature.com/articles/s41587-021-01179-w.epdf https://i.redd.it/mycw25zhbil81.gif submitted by /u/No_Coffee_4638 [link] [comments]  ( 1 min )

https://youtu.be/lvYVuOmUVs8 Formal mathematics is a challenging area for both humans and machines. For humans, formal proofs require very tedious and meticulous specifications of every last detail and results in very long, overly cumbersome and verbose outputs. For machines, the discreteness and sparse reward nature of the problem presents a significant problem, which is classically tackled by brute force search, guided by a couple of heuristics. Previously, language models have been employed to better guide these proof searches and delivered significant improvements, but automated systems are still far from usable. This paper introduces another concept: An expert iteration procedure is employed to iteratively produce more and more challenging, but solvable problems for the machine to train on, which results in an automated curriculum, and a final algorithm that performs well above the previous models. OpenAI used this method to even solve two problems of the international math olympiad, which was previously infeasible for AI systems. ​ OUTLINE: 0:00 - Intro 2:35 - Paper Overview 5:50 - How do formal proofs work? 9:35 - How expert iteration creates a curriculum 16:50 - Model, data, and training procedure 25:30 - Predicting proof lengths for guiding search 29:10 - Bootstrapping expert iteration 34:10 - Experimental evaluation & scaling properties 40:10 - Results on synthetic data 44:15 - Solving real math problems 47:15 - Discussion & comments ​ Paper: https://arxiv.org/abs/2202.01344 miniF2F benchmark: https://github.com/openai/miniF2F submitted by /u/ykilcher [link] [comments]  ( 1 min )

Hey all, So i’m in my final year at uni and i’m currently doing a deep learning project that involves segmenting medical imagery. I’m currently using U-Net however my supervisor expects me to some how improve on it but every idea I have has already been done. So i’m not entirely sure what to do. I was considering using transformers/ attention modules but i’m not sure where to look and how to do it. Any ideas regarding this? To add, I am currently using the ISLES 2018 dataset which features CT imaging submitted by /u/JamDiddie [link] [comments]  ( 1 min )

Hi, So my project is to do with object detection on trash in the wild on this fairly obscure dataset: http://tacodataset.org/ and I was thinking of applying vision transformers to it for feature extraction. I was thinking of taking the YOLOX implementation and swapping out the backbone with swin transformers and perform bunch of comparisons/experiments for the write up. Sort of like how they applied swin transformers to mask R-CNN here but I am struggling to understand where to begin. From what I understand the swin transformer outputs a single dimension feature vector and the yolo head takes inputs from 3 different layers from the backbone?? and I think I will need to write the backbone implementation here. My questions: Does it make sense to apply a vision transformer in this way for a masters level project? (combining two separate ideas) What sort of tasks would I need to do for this implementation? submitted by /u/daanial11 [link] [comments]  ( 1 min )

Hey! I’m Shantanu. This is Thomas. We are college students that have always wanted to create so many different things, from poetry to art to stories. We also struggled finding personalized content that was really for us, like a curated playlist or a song for the mood you are feeling. So, after spending countless hours on Figma and writing code in React, we are so excited to announce Quasi. Quasi is an online platform where people can utilize the power of AI to create anything they want with absolutely zero code. You can create things like poems, stories as well as getting personalized song choices and so much more. With Quasi, you will be able to Create Your Own Content. Go to quasi.market to check us out! submitted by /u/shantanuroy4141 [link] [comments]  ( 1 min )

I have recently graduated with a degree in physics, and tbh, I don’t really see myself doing physics. I’m thinking of switching to ML, and i’m wondering where i should start? I’m already good with python, and used libraries like Pandas, Scipy, matplotlib, numpy,…, etc before. I have a good knowledge on linear algebra, calculus, differential geometry, complex analysis, and in general the courses that a physics student would be taking in their undergrad years. So, what could be a good starting point? I’m currently following a 10 hours course on youtube by a channel called edureka. submitted by /u/Background-Tune-3249 [link] [comments]  ( 2 min )

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I am a high school junior, soon to be senior. I wanted to learn ML, I started with Andrew Ng's course. Initially, I thought it was perfect as it used Octave/MATLAB and I have no knowledge of Python but I heard that both these programs are not really prevalent as of now and many newer courses are bing taught in Python. I am a total noob in Python, now I am confused regarding what I should after Andrew Ng's initial course. Should I learn Python before starting with anything else? Btw, should I try coding Andrew's assignments in Python, I have close to 0 knowledge though. Edit: TITLE- High School Junior Interested in ML submitted by /u/Sad-Revenue-5908 [link] [comments]  ( 2 min )

Hey ML community. Suppose I have some arbitrary parameterized model F that I want to train on a classification or regression task. Is there any literature that says if/when using a bagged or boosted version of F is worth trying? Is there a performance boost that is relatively likely to occur from using a bagged or boosted version of F, or is it completely situation dependent? Edit: I am interested in deep learning modules (RNNs, Linear, CNNs) in particular, but I welcome anything useful regarding classic ML models. More sophisticated architectures like ResNets,Transformers, NTMs, DNCs in a bagged or boosted setting is of particular interest. submitted by /u/lambdasintheoutfield [link] [comments]  ( 1 min )

Hi all, ​ I'm looking for advice from those of you who have completed or are currently enrolled in a PhD program. What, in your opinion, makes a research lab/program stand out as being a desirable place to complete a PhD? ​ Thanks submitted by /u/c9m9 [link] [comments]  ( 2 min )

I am studying a chemical process. The process has 4 steps. Each step will have some error, the error could finalize contribute to failing the produce (final result). Now I need to find out what would be the acceptance range of each step. How should I approach this problem? I am thinking to use classification tree. Any better option? submitted by /u/superhero_io [link] [comments]  ( 1 min )

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Recently I read Cathy O’Neils Weapons of Math Destruction book. Whilst I found the topic enjoyable and for the most part an engaging read, I was left with the feeling that it only skims the surface from a technical viewpoint and works as a good introductory piece on the dangers of machine learning. I’ve been working with machine learning techniques for a number of years now but I’m interested in delving into the ethical and XAI components of machine learning. Would you have any must-reads for this area, whether that be technical works or reflections on current ML usage? I’m also open to any AI books in general that you found particularly interesting. submitted by /u/BlueGrassGrapes [link] [comments]  ( 1 min )

https://youtu.be/QqejV0LNDHA This video explains the “A ConvNet for the 2020s.” paper by Liu et al. 2021. Paper link: https://arxiv.org/abs/2201.03545 Official code: https://github.com/facebookresearch/ConvNeXt Short description: Can a ConvNet outperform a Vision Transformer? What kind of modifications do we have to apply to a ConvNet to make it as powerful as a Transformer? Spoiler: it’s not attention. ​ Outline: 00:00 A ConvNet for the 2020s 01:58 Weights & Biases (Sponsor) 03:10 Why bother? 04:40 The perks of ConvNets (CNNs) 06:51 Pros and cons of Transformers 09:54 From ConvNets to ConvNeXts 15:54 Lessons? submitted by /u/AICoffeeBreak [link] [comments]  ( 1 min )

Do you know a benchmark where AMD consumer card performance with Pytorch is compared to NVidia cards? Something like https://www.videocardbenchmark.net/high_end_gpus.html but for Pytorch/Deeplearning performance. I suppose these G3D values are not representative for Deeplearning? Of course, I tried researching that, but all I found was some vague statements about AMD and ROCm from one year ago. It's hard to find out what happened since. Can we expect AMD consumer cards to be fine with Pytorch neural network training today? If so, then benchmark numbers would be good. If not, then what about the near future? Can you please summarize the technologies to watch? I had the impression CUDA is a proprietary library that only works with NVidia. OpenCL is some open source standard, but it does not use all the card's features and does not perform great for neural network training. ROCm is some (open source?) AMD library, but it's not clear how it performs and maybe it's only for enterprise cards? Anything else? Please correct or add. submitted by /u/Gere1 [link] [comments]  ( 1 min )

As someone with ML Engineer/Data Engineer experience, my friends who are currently pursuing PhD in AI/ML/Big Data are my only source of updates on recent developments in AI/ML fields. Other than that, I've started to lurk around relevant subs on reddit and certain hashtags on LinkedIn to see what's going on in the industry as such. But I wonder how do you all stay informed? Are there any particular websites that you follow? How does the research community do it? submitted by /u/money_noob_007 [link] [comments]  ( 3 min )

This paper presents a deep neural network approach to simulate the pressure of a mechanical ventilator. The traditional mechanical ventilator has a control pressure monitored by a medical practitioner, which could behave inaccurately by missing the proper pressure. This paper exploits recent studies and provides a simulator based on a deep sequence model to predict the airway pressure in the respiratory circuit during the inspiratory phase of a breath given a time series of control parameters and lung attributes. This approach demonstrates the effectiveness of neural network-based controllers in tracking pressure waveforms significantly better than the current industry standard and provides insights to build effective and robust pressure-controlled mechanical ventilators. - Paper Link: https://www.medrxiv.org/content/10.1101/2022.03.02.22271790v1 - Code Link: https://github.com/abdelghanibelgaid/nnvpp submitted by /u/xabmc [link] [comments]  ( 1 min )

Excluding preprocessing and data visualisation View Poll submitted by /u/fouried96 [link] [comments]

I am working with the ram version of this game for a master thesis, and I need to know the location for certain items as the keys and the stairs. The coordinates of x and y of the RAM oscillate in the interval [0, 255]; however, the image's shape that I can visualize is (210,160), and it seems impossible to discover a way to map the ram coordinates to the pixel coordinates. ​ I would be very grateful if anyone could help me with this topic. submitted by /u/SrPinko [link] [comments]  ( 1 min )

Hi, I would like to how can we determine robot distance from the goal incase of mapless navigation when the model is implemented on real robot. In simulation we can used the coordinated to do so, but what about the actual implementation? Do we need some additional sensors? I am mainly interested in indoor navigation using only a camera and DRL. Ref paper: https://www.cs.ox.ac.uk/files/11898/SnapNav.pdf Look at the reward function Thanks submitted by /u/ahsol360 [link] [comments]  ( 1 min )

I am currently trying to train Bipedal Walker of OpenAI gym by using policy gradient approach. My action space contains 4 continuous actions, all ranging [-1.0, 1.0]. In this case, how can we calculate gradient of log policy when ``````` log(negative_action) gives nan value. submitted by /u/Better-Ad8608 [link] [comments]  ( 1 min )

Score-based generative models (SGMs) have demonstrated remarkable synthesis quality. SGMs rely on a diffusion process that gradually perturbs the data towards a tractable distribution, while the generative model learns to denoise. The complexity of this denoising task is, apart from the data distribution itself, uniquely determined by the diffusion process. We argue that current SGMs employ overly simplistic diffusions, leading to unnecessarily complex denoising processes, which limit generative modeling performance. Based on connections to statistical mechanics, we propose a novel critically-damped Langevin diffusion (CLD) and show that CLD-based SGMs achieve superior performance. CLD can be interpreted as running a joint diffusion in an extended space, where the auxiliary variables can be considered "velocities" that are coupled to the data variables as in Hamiltonian dynamics. We derive a novel score matching objective for CLD and show that the model only needs to learn the score function of the conditional distribution of the velocity given data, an easier task than learning scores of the data directly. We also derive a new sampling scheme for efficient synthesis from CLD-based diffusion models. We find that CLD outperforms previous SGMs in synthesis quality for similar network architectures and sampling compute budgets. We show that our novel sampler for CLD significantly outperforms solvers such as Euler--Maruyama. Our framework provides new insights into score-based denoising diffusion models and can be readily used for high-resolution image synthesis. Project page and code: https://nv-tlabs.github.io/CLD-SGM.

The prediction accuracy of machine learning methods is steadily increasing, but the calibration of their uncertainty predictions poses a significant challenge. Numerous works focus on obtaining well-calibrated predictive models, but less is known about reliably assessing model calibration. This limits our ability to know when algorithms for improving calibration have a real effect, and when their improvements are merely artifacts due to random noise in finite datasets. In this work, we consider detecting mis-calibration of predictive models using a finite validation dataset as a hypothesis testing problem. The null hypothesis is that the predictive model is calibrated, while the alternative hypothesis is that the deviation from calibration is sufficiently large. We find that detecting mis-calibration is only possible when the conditional probabilities of the classes are sufficiently smooth functions of the predictions. When the conditional class probabilities are H\"older continuous, we propose T-Cal, a minimax optimal test for calibration based on a debiased plug-in estimator of the $\ell_2$-Expected Calibration Error (ECE). We further propose Adaptive T-Cal, a version that is adaptive to unknown smoothness. We verify our theoretical findings with a broad range of experiments, including with several popular deep neural net architectures and several standard post-hoc calibration methods. T-Cal is a practical general-purpose tool, which -- combined with classical tests for discrete-valued predictors -- can be used to test the calibration of virtually any probabilistic classification method.

Rare event searches allow us to search for new physics at energy scales inaccessible with other means by leveraging specialized large-mass detectors. Machine learning provides a new tool to maximize the information provided by these detectors. The information is sparse, which forces these algorithms to start from the lowest level data and exploit all symmetries in the detector to produce results. In this work we present KamNet which harnesses breakthroughs in geometric deep learning and spatiotemporal data analysis to maximize the physics reach of KamLAND-Zen, a kiloton scale spherical liquid scintillator detector searching for neutrinoless double beta decay ($0\nu\beta\beta$). Using a simplified background model for KamLAND we show that KamNet outperforms a conventional CNN on benchmarking MC simulations with an increasing level of robustness. Using simulated data, we then demonstrate KamNet's ability to increase KamLAND-Zen's sensitivity to $0\nu\beta\beta$ and $0\nu\beta\beta$ to excited states. A key component of this work is the addition of an attention mechanism to elucidate the underlying physics KamNet is using for the background rejection.

Contrastive learning is an effective unsupervised method in graph representation learning. Recently, the data augmentation based contrastive learning method has been extended from images to graphs. However, most prior works are directly adapted from the models designed for images. Unlike the data augmentation on images, the data augmentation on graphs is far less intuitive and much harder to provide high-quality contrastive samples, which are the key to the performance of contrastive learning models. This leaves much space for improvement over the existing graph contrastive learning frameworks. In this work, by introducing an adversarial graph view and an information regularizer, we propose a simple but effective method, Adversarial Graph Contrastive Learning (ARIEL), to extract informative contrastive samples within a reasonable constraint. It consistently outperforms the current graph contrastive learning methods in the node classification task over various real-world datasets and further improves the robustness of graph contrastive learning.

In this work, we study non-parametric estimation of joint probabilities of a given set of discrete and continuous random variables from their (empirically estimated) 2D marginals, under the assumption that the joint probability could be decomposed and approximated by a mixture of product densities/mass functions. The problem of estimating the joint probability density function (PDF) using semi-parametric techniques such as Gaussian Mixture Models (GMMs) is widely studied. However such techniques yield poor results when the underlying densities are mixtures of various other families of distributions such as Laplacian or generalized Gaussian, uniform, Cauchy, etc. Further, GMMs are not the best choice to estimate joint distributions which are hybrid in nature, i.e., some random variables are discrete while others are continuous. We present a novel approach for estimating the PDF using ideas from dictionary representations in signal processing coupled with low rank tensor decompositions. To the best our knowledge, this is the first work on estimating joint PDFs employing dictionaries alongside tensor decompositions. We create a dictionary of various families of distributions by inspecting the data, and use it to approximate each decomposed factor of the product in the mixture. Our approach can naturally handle hybrid $N$-dimensional distributions. We test our approach on a variety of synthetic and real datasets to demonstrate its effectiveness in terms of better classification rates and lower error rates, when compared to state of the art estimators.

Reconstructing 3D objects from 2D images is both challenging for our brains and machine learning algorithms. To support this spatial reasoning task, contextual information about the overall shape of an object is critical. However, such information is not captured by established loss terms (e.g. Dice loss). We propose to complement geometrical shape information by including multi-scale topological features, such as connected components, cycles, and voids, in the reconstruction loss. Our method calculates topological features from 3D volumetric data based on cubical complexes and uses an optimal transport distance to guide the reconstruction process. This topology-aware loss is fully differentiable, computationally efficient, and can be added to any neural network. We demonstrate the utility of our loss by incorporating it into SHAPR, a model for predicting the 3D cell shape of individual cells based on 2D microscopy images. Using a hybrid loss that leverages both geometrical and topological information of single objects to assess their shape, we find that topological information substantially improves the quality of reconstructions, thus highlighting its ability to extract more relevant features from image datasets.

In spite of the dominant performances of deep neural networks, recent works have shown that they are poorly calibrated, resulting in over-confident predictions. Miscalibration can be exacerbated by overfitting due to the minimization of the cross-entropy during training, as it promotes the predicted softmax probabilities to match the one-hot label assignments. This yields a pre-softmax activation of the correct class that is significantly larger than the remaining activations. Recent evidence from the literature suggests that loss functions that embed implicit or explicit maximization of the entropy of predictions yield state-of-the-art calibration performances. We provide a unifying constrained-optimization perspective of current state-of-the-art calibration losses. Specifically, these losses could be viewed as approximations of a linear penalty (or a Lagrangian) imposing equality constraints on logit distances. This points to an important limitation of such underlying equality constraints, whose ensuing gradients constantly push towards a non-informative solution, which might prevent from reaching the best compromise between the discriminative performance and calibration of the model during gradient-based optimization. Following our observations, we propose a simple and flexible generalization based on inequality constraints, which imposes a controllable margin on logit distances. Comprehensive experiments on a variety of image classification, semantic segmentation and NLP benchmarks demonstrate that our method sets novel state-of-the-art results on these tasks in terms of network calibration, without affecting the discriminative performance. The code is available at https://github.com/by-liu/MbLS .

This paper studies the BERT pretraining of video transformers. It is a straightforward but worth-studying extension given the recent success from BERT pretraining of image transformers. We introduce BEVT which decouples video representation learning into spatial representation learning and temporal dynamics learning. In particular, BEVT first performs masked image modeling on image data, and then conducts masked image modeling jointly with masked video modeling on video data. This design is motivated by two observations: 1) transformers learned on image datasets provide decent spatial priors that can ease the learning of video transformers, which are often times computationally-intensive if trained from scratch; 2) discriminative clues, i.e., spatial and temporal information, needed to make correct predictions vary among different videos due to large intra-class and inter-class variations. We conduct extensive experiments on three challenging video benchmarks where BEVT achieves very promising results. On Kinetics 400, for which recognition mostly relies on discriminative spatial representations, BEVT achieves comparable results to strong supervised baselines. On Something-Something-V2 and Diving 48, which contain videos relying on temporal dynamics, BEVT outperforms by clear margins all alternative baselines and achieves state-of-the-art performance with a 71.4\% and 87.2\% Top-1 accuracy respectively. Code will be made available at \url{https://github.com/xyzforever/BEVT}.

In model-free deep reinforcement learning (RL) algorithms, using noisy value estimates to supervise policy evaluation and optimization is detrimental to the sample efficiency. As this noise is heteroscedastic, its effects can be mitigated using uncertainty-based weights in the optimization process. Previous methods rely on sampled ensembles, which do not capture all aspects of uncertainty. We provide a systematic analysis of the sources of uncertainty in the noisy supervision that occurs in RL, and introduce inverse-variance RL, a Bayesian framework which combines probabilistic ensembles and Batch Inverse Variance weighting. We propose a method whereby two complementary uncertainty estimation methods account for both the Q-value and the environment stochasticity to better mitigate the negative impacts of noisy supervision. Our results show significant improvement in terms of sample efficiency on discrete and continuous control tasks.

The goal of local citation recommendation is to recommend a missing reference from the local citation context and optionally also from the global context. To balance the tradeoff between speed and accuracy of citation recommendation in the context of a large-scale paper database, a viable approach is to first prefetch a limited number of relevant documents using efficient ranking methods and then to perform a fine-grained reranking using more sophisticated models. In that vein, BM25 has been found to be a tough-to-beat approach to prefetching, which is why recent work has focused mainly on the reranking step. Even so, we explore prefetching with nearest neighbor search among text embeddings constructed by a hierarchical attention network. When coupled with a SciBERT reranker fine-tuned on local citation recommendation tasks, our hierarchical Attention encoder (HAtten) achieves high prefetch recall for a given number of candidates to be reranked. Consequently, our reranker requires fewer prefetch candidates to rerank, yet still achieves state-of-the-art performance on various local citation recommendation datasets such as ACL-200, FullTextPeerRead, RefSeer, and arXiv.

Anomaly detection is commonly pursued as a one-class classification problem, where models can only learn from normal training samples, while being evaluated on both normal and abnormal test samples. Among the successful approaches for anomaly detection, a distinguished category of methods relies on predicting masked information (e.g. patches, future frames, etc.) and leveraging the reconstruction error with respect to the masked information as an abnormality score. Different from related methods, we propose to integrate the reconstruction-based functionality into a novel self-supervised predictive architectural building block. The proposed self-supervised block is generic and can easily be incorporated into various state-of-the-art anomaly detection methods. Our block starts with a convolutional layer with dilated filters, where the center area of the receptive field is masked. The resulting activation maps are passed through a channel attention module. Our block is equipped with a loss that minimizes the reconstruction error with respect to the masked area in the receptive field. We demonstrate the generality of our block by integrating it into several state-of-the-art frameworks for anomaly detection on image and video, providing empirical evidence that shows considerable performance improvements on MVTec AD, Avenue, and ShanghaiTech. We release our code as open source at https://github.com/ristea/sspcab.

Mobile and wearable devices have enabled numerous applications, including activity tracking, wellness monitoring, and human--computer interaction, that measure and improve our daily lives. Many of these applications are made possible by leveraging the rich collection of low-power sensors found in many mobile and wearable devices to perform human activity recognition (HAR). Recently, deep learning has greatly pushed the boundaries of HAR on mobile and wearable devices. This paper systematically categorizes and summarizes existing work that introduces deep learning methods for wearables-based HAR and provides a comprehensive analysis of the current advancements, developing trends, and major challenges. We also present cutting-edge frontiers and future directions for deep learning-based HAR.

Recently (Elkin, Filtser, Neiman 2017) introduced the concept of a {\it terminal embedding} from one metric space $(X,d_X)$ to another $(Y,d_Y)$ with a set of designated terminals $T\subset X$. Such an embedding $f$ is said to have distortion $\rho\ge 1$ if $\rho$ is the smallest value such that there exists a constant $C>0$ satisfying \begin{equation*} \forall x\in T\ \forall q\in X,\ C d_X(x, q) \le d_Y(f(x), f(q)) \le C \rho d_X(x, q) . \end{equation*} In the case that $X,Y$ are both Euclidean metrics with $Y$ being $m$-dimensional, recently (Narayanan, Nelson 2019), following work of (Mahabadi, Makarychev, Makarychev, Razenshteyn 2018), showed that distortion $1+\epsilon$ is achievable via such a terminal embedding with $m = O(\epsilon^{-2}\log n)$ for $n := |T|$. This generalizes the Johnson-Lindenstrauss lemma, which only preserves distances within $T$ and not to $T$ from the rest of space. The downside is that evaluating the embedding on some $q\in \mathbb{R}^d$ required solving a semidefinite program with $\Theta(n)$ constraints in $m$ variables and thus required some superlinear $\mathrm{poly}(n)$ runtime. Our main contribution in this work is to give a new data structure for computing terminal embeddings. We show how to pre-process $T$ to obtain an almost linear-space data structure that supports computing the terminal embedding image of any $q\in\mathbb{R}^d$ in sublinear time $O^* (n^{1-\Theta(\epsilon^2)} + d)$. To accomplish this, we leverage tools developed in the context of approximate nearest neighbor search.

Although reinforcement learning (RL) has tremendous success in many fields, applying RL to real-world settings such as healthcare is challenging when the reward is hard to specify and no exploration is allowed. In this work, we focus on recovering clinicians' rewards in treating patients. We incorporate the what-if reasoning to explain the clinician's actions based on future outcomes. We use generalized additive models (GAMs) - a class of accurate, interpretable models - to recover the reward. In both simulation and a real-world hospital dataset, we show our model outperforms baselines. Finally, our model's explanations match several clinical guidelines when treating patients while we found the previously-used linear model often contradicts them.

Neural Architecture Search (NAS) is a popular method for automatically designing optimized architectures for high-performance deep learning. In this approach, it is common to use bilevel optimization where one optimizes the model weights over the training data (inner problem) and various hyperparameters such as the configuration of the architecture over the validation data (outer problem). This paper explores the statistical aspects of such problems with train-validation splits. In practice, the inner problem is often overparameterized and can easily achieve zero loss. Thus, a-priori it seems impossible to distinguish the right hyperparameters based on training loss alone which motivates a better understanding of the role of train-validation split. To this aim this work establishes the following results. (1) We show that refined properties of the validation loss such as risk and hyper-gradients are indicative of those of the true test loss. This reveals that the outer problem helps select the most generalizable model and prevent overfitting with a near-minimal validation sample size. This is established for continuous search spaces which are relevant for differentiable schemes. Extensions to transfer learning are developed in terms of the mismatch between training & validation distributions. (2) We establish generalization bounds for NAS problems with an emphasis on an activation search problem. When optimized with gradient-descent, we show that the train-validation procedure returns the best (model, architecture) pair even if all architectures can perfectly fit the training data to achieve zero error. (3) Finally, we highlight connections between NAS, multiple kernel learning, and low-rank matrix learning. The latter leads to novel insights where the solution of the outer problem can be accurately learned via efficient spectral methods to achieve near-minimal risk.

Tensor completion is the problem of estimating the missing entries of a partially observed tensor by exploiting its low-rank structure. In streaming applications where the frames arrive sequentially such as video completion, the missing entries of the tensor need to be dynamically recovered in an online fashion. Traditional online completion algorithms treat the entire visual data as a tensor, which may not work satisfactorily when there is a big change in the tensor subspace along the temporal dimension, such as due to strong motion across the video frames. In this paper, we develop a novel patch tracking-based online tensor completion framework for streaming data. Each incoming tensor is extracted into small patches, and similar patches are tracked along the temporal domain. We propose a new patch tracking strategy that can accurately and efficiently track the patches with missing data. Further, a new online tensor ring completion method is proposed which can efficiently and accurately update the latent core tensors and complete the missing entries of the tracked patches. Extensive experimental results demonstrate the superior performance of the proposed algorithms compared with both online and offline state-of-the-art tensor completion methods.

Unsupervised black-box models are challenging to interpret. Indeed, most existing explainability methods require labels to select which component(s) of the black-box's output to interpret. In the absence of labels, black-box outputs often are representation vectors whose components do not correspond to any meaningful quantity. Hence, choosing which component(s) to interpret in a label-free unsupervised/self-supervised setting is an important, yet unsolved problem. To bridge this gap in the literature, we introduce two crucial extensions of post-hoc explanation techniques: (1) label-free feature importance and (2) label-free example importance that respectively highlight influential features and training examples for a black-box to construct representations at inference time. We demonstrate that our extensions can be successfully implemented as simple wrappers around many existing feature and example importance methods. We illustrate the utility of our label-free explainability paradigm through a qualitative and quantitative comparison of representation spaces learned by various autoencoders trained on distinct unsupervised tasks.

Molecular representation learning plays an essential role in cheminformatics. Recently, language model-based approaches have gained popularity as an alternative to traditional expert-designed features to encode molecules. However, these approaches only utilize a single molecular language for representation learning. Motivated by the fact that a given molecule can be described using different languages such as Simplified Molecular Line Entry System (SMILES), The International Union of Pure and Applied Chemistry (IUPAC), and The IUPAC International Chemical Identifier (InChI), we propose a multilingual molecular embedding generation approach called MM-Deacon (multilingual molecular domain embedding analysis via contrastive learning). MM-Deacon is pre-trained using SMILES and IUPAC as two different languages on large-scale molecules. We evaluated the robustness of our method on seven molecular property prediction tasks from MoleculeNet benchmark, zero-shot cross-lingual retrieval, and a drug-drug interaction prediction task.

Conservatism has led to significant progress in offline reinforcement learning (RL) where an agent learns from pre-collected datasets. However, as many real-world scenarios involve interaction among multiple agents, it is important to resolve offline RL in the multi-agent setting. Given the recent success of transferring online RL algorithms to the multi-agent setting, one may expect that offline RL algorithms will also transfer to multi-agent settings directly. Surprisingly, we empirically observe that conservative offline RL algorithms do not work well in the multi-agent setting -- the performance degrades significantly with an increasing number of agents. Towards mitigating the degradation, we identify a key issue that non-concavity of the value function makes the policy gradient improvements prone to local optima. Multiple agents exacerbate the problem severely, since the suboptimal policy by any agent can lead to uncoordinated global failure. Following this intuition, we propose a simple yet effective method, Offline Multi-Agent RL with Actor Rectification (OMAR), which combines the first-order policy gradients and zeroth-order optimization methods to better optimize the conservative value functions over the actor parameters. Despite the simplicity, OMAR achieves state-of-the-art results in a variety of multi-agent control tasks.

The diversity and quantity of data warehouses, gathering data from distributed devices such as mobile devices, can enhance the success and robustness of machine learning algorithms. Federated learning enables distributed participants to collaboratively learn a commonly-shared model while holding data locally. However, it is also faced with expensive communication and limitations due to the heterogeneity of distributed data sources and lack of access to global data. In this paper, we investigate a practical distributed learning scenario where multiple downstream tasks (e.g., classifiers) could be efficiently learned from dynamically-updated and non-iid distributed data sources while providing local data privatization. We introduce a new distributed/collaborative learning scheme to address communication overhead via latent compression, leveraging global data while providing privatization of local data without additional cost due to encryption or perturbation. This scheme divides learning into (1) informative feature encoding, and transmitting the latent representation of local data to address communication overhead; (2) downstream tasks centralized at the server using the encoded codes gathered from each node to address computing overhead. Besides, a disentanglement strategy is applied to address the privatization of sensitive components of local data. Extensive experiments are conducted on image and speech datasets. The results demonstrate that downstream tasks on the compact latent representations with the privatization of local data can achieve comparable accuracy to centralized learning.

Aerial robots are increasingly being utilized for environmental monitoring and exploration. However, a key challenge is efficiently planning paths to maximize the information value of acquired data as an initially unknown environment is explored. To address this, we propose a new approach for informative path planning based on deep reinforcement learning (RL). Combining recent advances in RL and robotic applications, our method combines tree search with an offline-learned neural network predicting informative sensing actions. We introduce several components making our approach applicable for robotic tasks with high-dimensional state and large action spaces. By deploying the trained network during a mission, our method enables sample-efficient online replanning on platforms with limited computational resources. Simulations show that our approach performs on par with existing methods while reducing runtime by 8-10x. We validate its performance using real-world surface temperature data.

Survival analysis concerns the study of timeline data where the event of interest may remain unobserved (i.e., censored). Studies commonly record more than one type of event, but conventional survival techniques focus on a single event type. We set out to integrate both multiple independently censored time-to-event variables as well as missing observations. An energy-based approach is taken with a bi-partite structure between latent and visible states, commonly known as harmoniums (or restricted Boltzmann machines). The present harmonium is shown, both theoretically and experimentally, to capture non-linear patterns between distinct time recordings. We illustrate on real world data that, for a single time-to-event variable, our model is on par with established methods. In addition, we demonstrate that discriminative predictions improve by leveraging an extra time-to-event variable. In conclusion, multiple time-to-event variables can be successfully captured within the harmonium paradigm.

We present the vector quantized diffusion (VQ-Diffusion) model for text-to-image generation. This method is based on a vector quantized variational autoencoder (VQ-VAE) whose latent space is modeled by a conditional variant of the recently developed Denoising Diffusion Probabilistic Model (DDPM). We find that this latent-space method is well-suited for text-to-image generation tasks because it not only eliminates the unidirectional bias with existing methods but also allows us to incorporate a mask-and-replace diffusion strategy to avoid the accumulation of errors, which is a serious problem with existing methods. Our experiments show that the VQ-Diffusion produces significantly better text-to-image generation results when compared with conventional autoregressive (AR) models with similar numbers of parameters. Compared with previous GAN-based text-to-image methods, our VQ-Diffusion can handle more complex scenes and improve the synthesized image quality by a large margin. Finally, we show that the image generation computation in our method can be made highly efficient by reparameterization. With traditional AR methods, the text-to-image generation time increases linearly with the output image resolution and hence is quite time consuming even for normal size images. The VQ-Diffusion allows us to achieve a better trade-off between quality and speed. Our experiments indicate that the VQ-Diffusion model with the reparameterization is fifteen times faster than traditional AR methods while achieving a better image quality.

In this paper, we introduce the Label-Aware Ranked loss, a novel metric loss function. Compared to the state-of-the-art Deep Metric Learning losses, this function takes advantage of the ranked ordering of the labels in regression problems. To this end, we first show that the loss minimises when datapoints of different labels are ranked and laid at uniform angles between each other in the embedding space. Then, to measure its performance, we apply the proposed loss on a regression task of people counting with a short-range radar in a challenging scenario, namely a vehicle cabin. The introduced approach improves the accuracy as well as the neighboring labels accuracy up to 83.0% and 99.9%: An increase of 6.7%and 2.1% on state-of-the-art methods, respectively.

Despite the pervasiveness of ordinal labels in supervised learning, it remains common practice in deep learning to treat such problems as categorical classification using the categorical cross entropy loss. Recent methods attempting to address this issue while respecting the ordinal structure of the labels have resorted to converting ordinal regression into a series of extended binary classification subtasks. However, the adoption of such methods remains inconsistent due to theoretical and practical limitations. Here we address these limitations by demonstrating that the subtask probabilities form a Markov chain. We show how to straightforwardly modify neural network architectures to exploit this fact and thereby constrain predictions to be universally rank consistent. We furthermore prove that all rank consistent solutions can be represented within this formulation, and derive a loss function producing maximum likelihood parameter estimates. Using diverse benchmarks and the real-world application of a specialized recurrent neural network for COVID-19 prognosis, we demonstrate the practical superiority of this method versus the current state-of-the-art. The method is open sourced as user-friendly PyTorch and TensorFlow packages.

In this research, we show how to expand existing approaches of using generative adversarial networks (GANs) as economic scenario generators (ESG) to a whole internal model - with enough risk factors to model the full band-width of investments for an insurance company and for a one year time horizon as required in Solvency 2. For validation of this approach as well as for optimization of GAN architecture, we provide a consistent, data-driven framework using existing evaluation measures based on nearest neighbor distances and a newly developed measure for the detection of the memorizing effect. Finally, we demonstrate that the results of a GAN-based ESG are similar to regulatory approved internal models in Europe. Therefore, GAN-based models can be seen as an assumption-free data-driven alternative way of market risk modeling.

We present Mobile-Former, a parallel design of MobileNet and transformer with a two-way bridge in between. This structure leverages the advantages of MobileNet at local processing and transformer at global interaction. And the bridge enables bidirectional fusion of local and global features. Different from recent works on vision transformer, the transformer in Mobile-Former contains very few tokens (e.g. 6 or fewer tokens) that are randomly initialized to learn global priors, resulting in low computational cost. Combining with the proposed light-weight cross attention to model the bridge, Mobile-Former is not only computationally efficient, but also has more representation power. It outperforms MobileNetV3 at low FLOP regime from 25M to 500M FLOPs on ImageNet classification. For instance, Mobile-Former achieves 77.9\% top-1 accuracy at 294M FLOPs, gaining 1.3\% over MobileNetV3 but saving 17\% of computations. When transferring to object detection, Mobile-Former outperforms MobileNetV3 by 8.6 AP in RetinaNet framework. Furthermore, we build an efficient end-to-end detector by replacing backbone, encoder and decoder in DETR with Mobile-Former, which outperforms DETR by 1.1 AP but saves 52\% of computational cost and 36\% of parameters.

Deep learning on graphs has attracted tremendous attention from the graph learning community in recent years. It has been widely adopted in various real-world applications from diverse domains, such as social and information networks, biological graphs, and molecular graphs. In this paper, we present CogDL--an extensive toolkit for deep learning on graphs--that allows researchers and developers to easily conduct experiments and build applications. In CogDL, we propose a unified design for the training loop of graph neural network (GNN) models, making it unique among existing graph learning libraries. By utilizing this unified trainer, we can optimize the GNN training loop with several training techniques such as distributed training and mixed precision training. Moreover, we develop efficient sparse operators for CogDL, enabling it to become the most competitive graph library for efficiency. Additionally, another important CogDL feature is its focus on ease of use with the goal of facilitating open, robust, and reproducible graph learning research. We leverage CogDL to report and maintain benchmark results on the fundamental graph tasks such as node classification and graph classification, which can be reproduced and directly used by the community. Finally, we demonstrate the effectiveness and efficiency of CogDL for real-world applications in AMiner--a large-scale academic mining and search system. The CogDL toolkit is available at: https://github.com/thudm/cogdl.

Many problems in science and engineering require an efficient numerical approximation of integrals or solutions to differential equations. For systems with rapidly changing dynamics, an equidistant discretization is often inadvisable as it either results in prohibitively large errors or computational effort. To this end, adaptive schemes, such as solvers based on Runge--Kutta pairs, have been developed which adapt the step size based on local error estimations at each step. While the classical schemes apply very generally and are highly efficient on regular systems, they can behave sub-optimal when an inefficient step rejection mechanism is triggered by structurally complex systems such as chaotic systems. To overcome these issues, we propose a method to tailor numerical schemes to the problem class at hand. This is achieved by combining simple, classical quadrature rules or ODE solvers with data-driven time-stepping controllers. Compared with learning solution operators to ODEs directly, it generalises better to unseen initial data as our approach employs classical numerical schemes as base methods. At the same time it can make use of identified structures of a problem class and, therefore, outperforms state-of-the-art adaptive schemes. Several examples demonstrate superior efficiency. Source code is available at https://github.com/lueckem/quadrature-ML.

Model-free reinforcement learning algorithms can compute policy gradients given sampled environment transitions, but require large amounts of data. In contrast, model-based methods can use the learned model to generate new data, but model errors and bias can render learning unstable or suboptimal. In this paper, we present a novel method that combines real-world data and a learned model in order to get the best of both worlds. The core idea is to exploit the real-world data for on-policy predictions and use the learned model only to generalize to different actions. Specifically, we use the data as time-dependent on-policy correction terms on top of a learned model, to retain the ability to generate data without accumulating errors over long prediction horizons. We motivate this method theoretically and show that it counteracts an error term for model-based policy improvement. Experiments on MuJoCo- and PyBullet-benchmarks show that our method can drastically improve existing model-based approaches without introducing additional tuning parameters.

Reasoning about the future behavior of other agents is critical to safe robot navigation. The multiplicity of plausible futures is further amplified by the uncertainty inherent to agent state estimation from data, including positions, velocities, and semantic class. Forecasting methods, however, typically neglect class uncertainty, conditioning instead only on the agent's most likely class, even though perception models often return full class distributions. To exploit this information, we present HAICU, a method for heterogeneous-agent trajectory forecasting that explicitly incorporates agents' class probabilities. We additionally present PUP, a new challenging real-world autonomous driving dataset, to investigate the impact of Perceptual Uncertainty in Prediction. It contains challenging crowded scenes with unfiltered agent class probabilities that reflect the long-tail of current state-of-the-art perception systems. We demonstrate that incorporating class probabilities in trajectory forecasting significantly improves performance in the face of uncertainty, and enables new forecasting capabilities such as counterfactual predictions.

Human language understanding operates at multiple levels of granularity (e.g., words, phrases, and sentences) with increasing levels of abstraction that can be hierarchically combined. However, existing deep models with stacked layers do not explicitly model any sort of hierarchical process. This paper proposes a recursive Transformer model based on differentiable CKY style binary trees to emulate the composition process. We extend the bidirectional language model pre-training objective to this architecture, attempting to predict each word given its left and right abstraction nodes. To scale up our approach, we also introduce an efficient pruned tree induction algorithm to enable encoding in just a linear number of composition steps. Experimental results on language modeling and unsupervised parsing show the effectiveness of our approach.

We present a new supervised image classification method applicable to a broad class of image deformation models. The method makes use of the previously described Radon Cumulative Distribution Transform (R-CDT) for image data, whose mathematical properties are exploited to express the image data in a form that is more suitable for machine learning. While certain operations such as translation, scaling, and higher-order transformations are challenging to model in native image space, we show the R-CDT can capture some of these variations and thus render the associated image classification problems easier to solve. The method -- utilizing a nearest-subspace algorithm in R-CDT space -- is simple to implement, non-iterative, has no hyper-parameters to tune, is computationally efficient, label efficient, and provides competitive accuracies to state-of-the-art neural networks for many types of classification problems. In addition to the test accuracy performances, we show improvements (with respect to neural network-based methods) in terms of computational efficiency (it can be implemented without the use of GPUs), number of training samples needed for training, as well as out-of-distribution generalization. The Python code for reproducing our results is available at https://github.com/rohdelab/rcdt_ns_classifier.

Connected and Automated Vehicles (CAVs) are envisioned to transform the future industrial and private transportation sectors. However, due to the system's enormous complexity, functional verification and validation of safety aspects are essential before the technology merges into the public domain. Therefore, in recent years, a scenario-driven approach has gained acceptance, emphasizing the requirement of a solid data basis of scenarios. The large-scale research facility Test Bed Lower Saxony (TFNDS) enables the provision of ample information for a database of scenarios on highways. For that purpose, however, the scenarios of interest must be identified and extracted from the collected Naturalistic Trajectory Data (NTD). This work addresses this problem and proposes a methodology for onramp scenario extraction, enabling scenario categorization and assessment. An Hidden Markov Model (HMM) and Dynamic Time Warping (DTW) is utilized for extraction and a decision tree with the Surrogate Measure of Safety (SMoS) Post Enroachment Time (PET) for categorization and assessment. The efficacy of the approach is shown with a dataset of NTD collected on the TFNDS.

Diffusion MRI (dMRI) is the only non-invasive technique sensitive to tissue micro-architecture, which can, in turn, be used to reconstruct tissue microstructure and white matter pathways. The accuracy of such tasks is hampered by the low signal-to-noise ratio in dMRI. Today, the noise is characterized mainly by visual inspection of residual maps and estimated standard deviation. However, it is hard to estimate the impact of noise on downstream tasks based only on such qualitative assessments. To address this issue, we introduce a novel metric, Noise Uncertainty Quantification (NUQ), for quantitative image quality analysis in the absence of a ground truth reference image. NUQ uses a recent Bayesian formulation of dMRI models to estimate the uncertainty of microstructural measures. Specifically, NUQ uses the maximum mean discrepancy metric to compute a pooled quality score by comparing samples drawn from the posterior distribution of the microstructure measures. We show that NUQ allows a fine-grained analysis of noise, capturing details that are visually imperceptible. We perform qualitative and quantitative comparisons on real datasets, showing that NUQ generates consistent scores across different denoisers and acquisitions. Lastly, by using NUQ on a cohort of schizophrenics and controls, we quantify the substantial impact of denoising on group differences.

It is widely believed that deep neural networks contain layer specialization, wherein neural networks extract hierarchical features representing edges and patterns in shallow layers and complete objects in deeper layers. Unlike common feed-forward models that have distinct filters at each layer, recurrent networks reuse the same parameters at various depths. In this work, we observe that recurrent models exhibit the same hierarchical behaviors and the same performance benefits with depth as feed-forward networks despite reusing the same filters at every recurrence. By training models of various feed-forward and recurrent architectures on several datasets for image classification as well as maze solving, we show that recurrent networks have the ability to closely emulate the behavior of non-recurrent deep models, often doing so with far fewer parameters.

We consider a model of two competing microswimming agents engaged in a pursue-evasion task within a low-Reynolds-number environment. Agents can only perform simple maneuvers and sense hydrodynamic disturbances, which provide ambiguous (partial) information about the opponent's position and motion. We frame the problem as a zero-sum game: The pursuer has to capture the evader in the shortest time, while the evader aims at deferring capture as long as possible. We show that the agents, trained via adversarial reinforcement learning, are able to overcome partial observability by discovering increasingly complex sequences of moves and countermoves that outperform known heuristic strategies and exploit the hydrodynamic environment.

Graph Convolutional Neural Networks (GCNs) have become effective machine learning algorithms for many downstream network mining tasks such as node classification, link prediction, and community detection. However, most GCN methods have been developed for homogenous networks and are limited to a single embedding for each node. Complex systems, often represented by heterogeneous, multiplex networks present a more difficult challenge for GCN models and require that such techniques capture the diverse contexts and assorted interactions that occur between nodes. In this work, we propose RAHMeN, a novel unified relation-aware embedding framework for attributed heterogeneous multiplex networks. Our model incorporates node attributes, motif-based features, relation-based GCN approaches, and relational self-attention to learn embeddings of nodes with respect to the various relations in a heterogeneous, multiplex network. In contrast to prior work, RAHMeN is a more expressive embedding framework that embraces the multi-faceted nature of nodes in such networks, producing a set of multi-embeddings that capture the varied and diverse contexts of nodes. We evaluate our model on four real-world datasets from Amazon, Twitter, YouTube, and Tissue PPIs in both transductive and inductive settings. Our results show that RAHMeN consistently outperforms comparable state-of-the-art network embedding models, and an analysis of RAHMeN's relational self-attention demonstrates that our model discovers interpretable connections between relations present in heterogeneous, multiplex networks.

While additional training data improves the robustness of deep neural networks against adversarial examples, it presents the challenge of curating a large number of specific real-world samples. We circumvent this challenge by using additional data from proxy distributions learned by advanced generative models. We first seek to formally understand the transfer of robustness from classifiers trained on proxy distributions to the real data distribution. We prove that the difference between the robustness of a classifier on the two distributions is upper bounded by the conditional Wasserstein distance between them. Next we use proxy distributions to significantly improve the performance of adversarial training on five different datasets. For example, we improve robust accuracy by up to 7.5% and 6.7% in $\ell_{\infty}$ and $\ell_2$ threat model over baselines that are not using proxy distributions on the CIFAR-10 dataset. We also improve certified robust accuracy by 7.6% on the CIFAR-10 dataset. We further demonstrate that different generative models bring a disparate improvement in the performance in robust training. We propose a robust discrimination approach to characterize the impact of individual generative models and further provide a deeper understanding of why current state-of-the-art in diffusion-based generative models are a better choice for proxy distribution than generative adversarial networks.

It is often the case that data are with multiple views in real-world applications. Fully exploring the information of each view is significant for making data more representative. However, real data tend to suffer from arbitrary view-missing due to various failures in data collection and pre-processing. Besides, as obtaining large-scale labeled data is laborious and expensive, the collected training samples in the target task may be scarce as well. The co-existence of these two problems makes it more challenging to achieve the pattern classification task. Currently, to our best knowledge, few appropriate methods can well-handle these two problems simultaneously. To draw more attention from the community to this challenge, we present a new task in this paper called Few-shot Partial Multi-view Learning (FPML), aiming to alleviate the view-missing effects in the low-data regime. The challenges of this task are twofold: (1) under the interference of the missing views, it is difficult to overcome the negative impact brought by data scarcity; (2) the limited number of data exacerbates information scarcity, thereby making it harder to address the view-missing problem. In this paper, we propose a novel method called Unified Gaussian Dense-anchoring (UGD) for this task. We propose to learn the unified dense Gaussian anchors for each training sample. Therefore, the incomplete multi-view data can be densely anchored into a unified representation space, where data scarcity and view missing are both relieved by the unified dense anchor representations. In particular, we also extend our FPML to the multimodal and the cross-domain scenario, and validate our UGD method on them. The extensive experiments firmly demonstrate the effectiveness of our approach.

The literature on "benign overfitting" in overparameterized models has been mostly restricted to regression or binary classification; however, modern machine learning operates in the multiclass setting. Motivated by this discrepancy, we study benign overfitting in multiclass linear classification. Specifically, we consider the following training algorithms on separable data: (i) empirical risk minimization (ERM) with cross-entropy loss, which converges to the multiclass support vector machine (SVM) solution; (ii) ERM with least-squares loss, which converges to the min-norm interpolating (MNI) solution; and, (iii) the one-vs-all SVM classifier. First, we provide a simple sufficient deterministic condition under which all three algorithms lead to classifiers that interpolate the training data and have equal accuracy. When the data is generated from Gaussian mixtures or a multinomial logistic model, this condition holds under high enough effective overparameterization. We also show that this sufficient condition is satisfied under "neural collapse", a phenomenon that is observed in training deep neural networks. Second, we derive novel bounds on the accuracy of the MNI classifier, thereby showing that all three training algorithms lead to benign overfitting under sufficient overparameterization. Ultimately, our analysis shows that good generalization is possible for SVM solutions beyond the realm in which typical margin-based bounds apply.

Transfer learning is a standard technique to transfer knowledge from one domain to another. For applications in medical imaging, transfer from ImageNet has become the de-facto approach, despite differences in the tasks and image characteristics between the domains. However, it is unclear what factors determine whether - and to what extent - transfer learning to the medical domain is useful. The long-standing assumption that features from the source domain get reused has recently been called into question. Through a series of experiments on several medical image benchmark datasets, we explore the relationship between transfer learning, data size, the capacity and inductive bias of the model, as well as the distance between the source and target domain. Our findings suggest that transfer learning is beneficial in most cases, and we characterize the important role feature reuse plays in its success.

Counterfactual explanations (CEs) are a powerful means for understanding how decisions made by algorithms can be changed. Researchers have proposed a number of desiderata that CEs should meet to be practically useful, such as requiring minimal effort to enact, or complying with causal models. We consider a further aspect to improve the usability of CEs: robustness to adverse perturbations, which may naturally happen due to unfortunate circumstances. Since CEs typically prescribe a sparse form of intervention (i.e., only a subset of the features should be changed), we provide two definitions of robustness, which concern, respectively, the features to change and to keep as they are. These definitions are workable in that they can be incorporated as penalty terms in the loss functions that are used for discovering CEs. To experiment with the proposed definitions of robustness, we create and release code where five data sets (commonly used in the field of fair and explainable machine learning) have been enriched with feature-specific annotations that can be used to sample meaningful perturbations. Our experiments show that CEs are often not robust and, if adverse perturbations take place, the intervention they prescribe may require a much larger cost than anticipated, or even become impossible. However, accounting for robustness in the search process, which can be done rather easily, allows discovering robust CEs systematically. Robust CEs are resilient to adverse perturbations: additional intervention to contrast perturbations is much less costly than for non-robust CEs. Our code is available at: https://github.com/marcovirgolin/robust-counterfactuals

Attitudes about vaccination have become more polarized; it is common to see vaccine disinformation and fringe conspiracy theories online. An observational study of Twitter vaccine discourse is found in Ojea Quintana et al. (2021): the authors analyzed approximately six months' of Twitter discourse -- 1.3 million original tweets and 18 million retweets between December 2019 and June 2020, ranging from before to after the establishment of Covid-19 as a pandemic. This work expands upon Ojea Quintana et al. (2021) with two main contributions from data science. First, based on the authors' initial network clustering and qualitative analysis techniques, we are able to clearly demarcate and visualize the language patterns used in discourse by Antivaxxers (anti-vaccination campaigners and vaccine deniers) versus other clusters (collectively, Others). Second, using the characteristics of Antivaxxers' tweets, we develop text classifiers to determine the likelihood a given user is employing anti-vaccination language, ultimately contributing to an early-warning mechanism to improve the health of our epistemic environment and bolster (and not hinder) public health initiatives.

Generative adversarial network (GAN) is widely used for generalized and robust learning on graph data. However, for non-Euclidean graph data, the existing GAN-based graph representation methods generate negative samples by random walk or traverse in discrete space, leading to the information loss of topological properties (e.g. hierarchy and circularity). Moreover, due to the topological heterogeneity (i.e., different densities across the graph structure) of graph data, they suffer from serious topological distortion problems. In this paper, we proposed a novel Curvature Graph Generative Adversarial Networks method, named \textbf{\modelname}, which is the first GAN-based graph representation method in the Riemannian geometric manifold. To better preserve the topological properties, we approximate the discrete structure as a continuous Riemannian geometric manifold and generate negative samples efficiently from the wrapped normal distribution. To deal with the topological heterogeneity, we leverage the Ricci curvature for local structures with different topological properties, obtaining to low-distortion representations. Extensive experiments show that CurvGAN consistently and significantly outperforms the state-of-the-art methods across multiple tasks and shows superior robustness and generalization.

Billions of IoT devices will be deployed in the near future, taking advantage of faster Internet speed and the possibility of orders of magnitude more endpoints brought by 5G/6G. With the growth of IoT devices, vast quantities of data that may contain users' private information will be generated. The high communication and storage costs, mixed with privacy concerns, will increasingly challenge the traditional ecosystem of centralized over-the-cloud learning and processing for IoT platforms. Federated Learning (FL) has emerged as the most promising alternative approach to this problem. In FL, training data-driven machine learning models is an act of collaboration between multiple clients without requiring the data to be brought to a central point, hence alleviating communication and storage costs and providing a great degree of user-level privacy. However, there are still some challenges existing in the real FL system implementation on IoT networks. In this paper, we will discuss the opportunities and challenges of FL in IoT platforms, as well as how it can enable diverse IoT applications. In particular, we identify and discuss seven critical challenges of FL in IoT platforms and highlight some recent promising approaches towards addressing them.

Building sample-efficient agents that generalize out-of-distribution (OOD) in real-world settings remains a fundamental unsolved problem on the path towards achieving higher-level cognition. One particularly promising approach is to begin with low-dimensional, pretrained representations of our world, which should facilitate efficient downstream learning and generalization. By training 240 representations and over 10,000 reinforcement learning (RL) policies on a simulated robotic setup, we evaluate to what extent different properties of pretrained VAE-based representations affect the OOD generalization of downstream agents. We observe that many agents are surprisingly robust to realistic distribution shifts, including the challenging sim-to-real case. In addition, we find that the generalization performance of a simple downstream proxy task reliably predicts the generalization performance of our RL agents under a wide range of OOD settings. Such proxy tasks can thus be used to select pretrained representations that will lead to agents that generalize.

Latent semantic analysis (LSA) and correspondence analysis (CA) are two techniques that use a singular value decomposition (SVD) for dimensionality reduction. LSA has been extensively used to obtain low-dimensional and dense vectors that capture relationships among documents and terms. In this article, we present a theoretical analysis and comparison of the two techniques in the context of document-term matrices. We show that CA has some attractive properties as compared to LSA, for instance that effects of margins arising from differing document-lengths and term-frequencies are effectively eliminated, so that the CA solution is optimally suited to focus on relationships among documents and terms. A unifying framework is proposed that includes both CA and LSA as special cases. We empirically compare CA to various LSA based methods on two tasks, a document classification task in English and an authorship attribution task on historical Dutch texts, and find that CA performs significantly better. We also apply CA to a long-standing question regarding the authorship of the Dutch national anthem Wilhelmus and provide further support that it can be attributed to the author Datheen, amongst several contenders.

Vision transformers (ViTs) process input images as sequences of patches via self-attention; a radically different architecture than convolutional neural networks (CNNs). This makes it interesting to study the adversarial feature space of ViT models and their transferability. In particular, we observe that adversarial patterns found via conventional adversarial attacks show very \emph{low} black-box transferability even for large ViT models. We show that this phenomenon is only due to the sub-optimal attack procedures that do not leverage the true representation potential of ViTs. A deep ViT is composed of multiple blocks, with a consistent architecture comprising of self-attention and feed-forward layers, where each block is capable of independently producing a class token. Formulating an attack using only the last class token (conventional approach) does not directly leverage the discriminative information stored in the earlier tokens, leading to poor adversarial transferability of ViTs. Using the compositional nature of ViT models, we enhance transferability of existing attacks by introducing two novel strategies specific to the architecture of ViT models. (i) Self-Ensemble: We propose a method to find multiple discriminative pathways by dissecting a single ViT model into an ensemble of networks. This allows explicitly utilizing class-specific information at each ViT block. (ii) Token Refinement: We then propose to refine the tokens to further enhance the discriminative capacity at each block of ViT. Our token refinement systematically combines the class tokens with structural information preserved within the patch tokens.

In the current work, a problem-splitting approach and a scheme motivated by transfer learning is applied to a structural health monitoring problem. The specific problem in this case is that of localising damage on an aircraft wing. The original experiment is described, together with the initial approach, in which a neural network was trained to localise damage. The results were not ideal, partly because of a scarcity of training data, and partly because of the difficulty in resolving two of the damage cases. In the current paper, the problem is split into two sub-problems and an increase in classification accuracy is obtained. The sub-problems are obtained by separating out the most difficult-to-classify damage cases. A second approach to the problem is considered by adopting ideas from transfer learning (usually applied in much deeper) networks to see if a network trained on the simpler damage cases can help with feature extraction in the more difficult cases. The transfer of a fixed trained batch of layers between the networks is found to improve classification by making the classes more separable in the feature space and to speed up convergence.

We propose algorithms for approximate filtering and smoothing in high-dimensional Factorial hidden Markov models. The approximation involves discarding, in a principled way, likelihood factors according to a notion of locality in a factor graph associated with the emission distribution. This allows the exponential-in-dimension cost of exact filtering and smoothing to be avoided. We prove that the approximation accuracy, measured in a local total variation norm, is "dimension-free" in the sense that as the overall dimension of the model increases the error bounds we derive do not necessarily degrade. A key step in the analysis is to quantify the error introduced by localizing the likelihood function in a Bayes' rule update. The factorial structure of the likelihood function which we exploit arises naturally when data have known spatial or network structure. We demonstrate the new algorithms on synthetic examples and a London Underground passenger flow problem, where the factor graph is effectively given by the train network.

In our experience of working with domain experts who are using today's AutoML systems, a common problem we encountered is what we call "unrealistic expectations" -- when users are facing a very challenging task with a noisy data acquisition process, while being expected to achieve startlingly high accuracy with machine learning (ML). Many of these are predestined to fail from the beginning. In traditional software engineering, this problem is addressed via a feasibility study, an indispensable step before developing any software system. In this paper, we present Snoopy, with the goal of supporting data scientists and machine learning engineers performing a systematic and theoretically founded feasibility study before building ML applications. We approach this problem by estimating the irreducible error of the underlying task, also known as the Bayes error rate (BER), which stems from data quality issues in datasets used to train or evaluate ML model artifacts. We design a practical Bayes error estimator that is compared against baseline feasibility study candidates on 6 datasets (with additional real and synthetic noise of different levels) in computer vision and natural language processing. Furthermore, by including our systematic feasibility study with additional signals into the iterative label cleaning process, we demonstrate in end-to-end experiments how users are able to save substantial labeling time and monetary efforts.

Large-scale perturbations in the microbiome constitution are strongly correlated, whether as a driver or a consequence, with the health and functioning of human physiology. However, understanding the difference in the microbiome profiles of healthy and ill individuals can be complicated due to the large number of complex interactions among microbes. We propose to model these interactions as a time-evolving graph whose nodes are microbes and edges are interactions among them. Motivated by the need to analyse such complex interactions, we develop a method that learns a low-dimensional representation of the time-evolving graph and maintains the dynamics occurring in the high-dimensional space. Through our experiments, we show that we can extract graph features such as clusters of nodes or edges that have the highest impact on the model to learn the low-dimensional representation. This information can be crucial to identify microbes and interactions among them that are strongly correlated with clinical diseases. We conduct our experiments on both synthetic and real-world microbiome datasets.

Anomaly is defined as a state of the system that do not conform to the normal behavior. For example, the emission of neutrons in a nuclear reactor channel above the specified threshold is an anomaly. Big data refers to the data set that is \emph{high volume, streaming, heterogeneous, distributed} and often \emph{sparse}. Big data is not uncommon these days. For example, as per Internet live stats, the number of tweets posted per day has gone above 500 millions. Due to data explosion in data laden domains, traditional anomaly detection techniques developed for small data sets scale poorly on large-scale data sets. Therefore, we take an alternative approach to tackle anomaly detection in big data. Essentially, there are two ways to scale anomaly detection in big data. The first is based on the \emph{online} learning and the second is based on the \emph{distributed} learning. Our aim in the thesis is to tackle big data problems while detecting anomaly efficiently. To that end, we first take \emph{streaming} issue of the big data and propose Passive-Aggressive GMEAN (PAGMEAN) algorithms. Although, online learning algorithm can scale well over large number of data points and dimensions, they can not process data when it is distributed at multiple locations; which is quite common these days. Therefore, we propose anomaly detection algorithm which is inherently distributed using ADMM. Finally, we present a case study on anomaly detection in nuclear power plant data.

Feature extraction or localization based on the fiducial marker could fail due to motion blur in real-world robotic applications. To solve this problem, a lightweight generative adversarial network, named Ghost-DeblurGAN, for real-time motion deblurring is developed in this paper. Furthermore, on account that there is no existing deblurring benchmark for such task, a new large-scale dataset, YorkTag, is proposed that provides pairs of sharp/blurred images containing fiducial markers. With the proposed model trained and tested on YorkTag, it is demonstrated that when applied along with fiducial marker systems to motion-blurred images, Ghost-DeblurGAN improves the marker detection significantly. The datasets and codes used in this paper are available at: https://github.com/York-SDCNLab/Ghost-DeblurGAN.

Due to the high cost of communication, federated learning (FL) systems need to sample a subset of clients that are involved in each round of training. As a result, client sampling plays an important role in FL systems as it affects the convergence rate of optimization algorithms used to train machine learning models. Despite its importance, there is limited work on how to sample clients effectively. In this paper, we cast client sampling as an online learning task with bandit feedback, which we solve with an online stochastic mirror descent (OSMD) algorithm designed to minimize the sampling variance. To handle the tuning parameters in OSMD that depend on the unknown problem parameters, we use the online ensemble method and doubling trick. We prove a dynamic regret bound relative to the theoretically optimal sampling sequence. The regret bound depends on the total variation of the comparator sequence, which naturally captures the intrinsic difficulty of the problem. To the best of our knowledge, these theoretical contributions are new and the proof technique is of independent interest. Through both synthetic and real data experiments, we illustrate advantages of the proposed client sampling algorithm over the widely used uniform sampling and existing online learning based sampling strategies. The proposed adaptive sampling procedure is applicable beyond the FL problem studied here and can be used to improve the performance of stochastic optimization procedures such as stochastic gradient descent and stochastic coordinate descent.

In the past decades, the excessive use of the last-generation GAN (Generative Adversarial Networks) models in computer vision has enabled the creation of artificial face images that are visually indistinguishable from genuine ones. These images are particularly used in adversarial settings to create fake social media accounts and other fake online profiles. Such malicious activities can negatively impact the trustworthiness of users identities. On the other hand, the recent development of GAN models may create high-quality face images without evidence of spatial artifacts. Therefore, reassembling uniform color channel correlations is a challenging research problem. To face these challenges, we need to develop efficient tools able to differentiate between fake and authentic face images. In this chapter, we propose a new strategy to differentiate GAN-generated images from authentic images by leveraging spectral band discrepancies, focusing on artificial face image synthesis. In particular, we enable the digital preservation of face images using the Cross-band co-occurrence matrix and spatial co-occurrence matrix. Then, we implement these techniques and feed them to a Convolutional Neural Networks (CNN) architecture to identify the real from artificial faces. Additionally, we show that the performance boost is particularly significant and achieves more than 92% in different post-processing environments. Finally, we provide several research observations demonstrating that this strategy improves a comparable detection method based only on intra-band spatial co-occurrences.

Beyond accuracy, quality measures are gaining importance in modern recommender systems, with reliability being one of the most important indicators in the context of collaborative filtering. This paper proposes Bernoulli Matrix Factorization (BeMF), which is a matrix factorization model, to provide both prediction values and reliability values. BeMF is a very innovative approach from several perspectives: a) it acts on model-based collaborative filtering rather than on memory-based filtering, b) it does not use external methods or extended architectures, such as existing solutions, to provide reliability, c) it is based on a classification-based model instead of traditional regression-based models, and d) matrix factorization formalism is supported by the Bernoulli distribution to exploit the binary nature of the designed classification model. The experimental results show that the more reliable a prediction is, the less liable it is to be wrong: recommendation quality improves after the most reliable predictions are selected. State-of-the-art quality measures for reliability have been tested, which shows that BeMF outperforms previous baseline methods and models.

We study the problem of exact completion for $m \times n$ sized matrix of rank r with the adaptive sampling method. We introduce a relation of the exact completion problem with the sparsest vector of column and row spaces (which we call sparsity-number here). Using this relation, we propose matrix completion algorithms that exactly recovers the target matrix. These algorithms are superior to previous works in two important ways. First, our algorithms exactly recover $\mu_0$-coherent column space matrices by probability at least $1-\epsilon$ using much smaller observations complexity than - $\mathcal{O}(\mu_0 rn \mathrm{log}\frac{r}{\epsilon})$ - the state of art. Specifically, many of the previous adaptive sampling methods require to observe the entire matrix when the column space is highly coherent. However, we show that our method is still able to recover this type of matrices by observing a small fraction of entries under many scenarios. Second, we propose an exact completion algorithm, which requires minimal pre-information as either row or column space is not being highly coherent. We provide an extension of these algorithms that is robust to sparse random noise. Besides, we propose an additional low-rank estimation algorithm that is robust to any small noise by adaptively studying the shape of column space. At the end of the paper, we provide experimental results that illustrate the strength of the algorithms proposed here.

Quantum computing has shown the potential to substantially speed up machine learning applications, in particular for supervised and unsupervised learning. Reinforcement learning, on the other hand, has become essential for solving many decision making problems and policy iteration methods remain the foundation of such approaches. In this paper, we provide a general framework for performing quantum reinforcement learning via policy iteration. We validate our framework by designing and analyzing: \emph{quantum policy evaluation} methods for infinite horizon discounted problems by building quantum states that approximately encode the value function of a policy $\pi$; and \emph{quantum policy improvement} methods by post-processing measurement outcomes on these quantum states. Last, we study the theoretical and experimental performance of our quantum algorithms on two environments from OpenAI's Gym.

Reinforcement learning with sparse rewards is still an open challenge. Classic methods rely on getting feedback via extrinsic rewards to train the agent, and in situations where this occurs very rarely the agent learns slowly or cannot learn at all. Similarly, if the agent receives also rewards that create suboptimal modes of the objective function, it will likely prematurely stop exploring. More recent methods add auxiliary intrinsic rewards to encourage exploration. However, auxiliary rewards lead to a non-stationary target for the Q-function. In this paper, we present a novel approach that (1) plans exploration actions far into the future by using a long-term visitation count, and (2) decouples exploration and exploitation by learning a separate function assessing the exploration value of the actions. Contrary to existing methods which use models of reward and dynamics, our approach is off-policy and model-free. We further propose new tabular environments for benchmarking exploration in reinforcement learning. Empirical results on classic and novel benchmarks show that the proposed approach outperforms existing methods in environments with sparse rewards, especially in the presence of rewards that create suboptimal modes of the objective function. Results also suggest that our approach scales gracefully with the size of the environment. Source code is available at https://github.com/sparisi/visit-value-explore

This paper is the first to propose a generic min-max bilevel multi-objective optimization framework, highlighting applications in representation learning and hyperparameter optimization. In many machine learning applications such as meta-learning, multi-task learning, and representation learning, a subset of the parameters are shared by all the tasks, while each specific task has its own set of additional parameters. By leveraging the recent advances of nonconvex min-max optimization, we propose a gradient descent-ascent bilevel optimization (MORBiT) algorithm which is able to extract a set of shared parameters that is robust over all tasks and further overcomes the distributional shift between training and testing tasks. Theoretical analyses show that MORBiT converges to the first-order stationary point at a rate of $\mathcal{O}(\sqrt{n}K^{-2/5})$ for a class of nonconvex problems, where $K$ denotes the total number of iterations and $n$ denotes the number of tasks. Overall, we formulate a min-max bilevel multi-objective optimization problem, provide a single loop two-timescale algorithm with convergence rate guarantees, and show theoretical bounds on the generalization abilities of the optimizer. Experimental results on sinusoid regression and representation learning showcase the superiority of MORBiT over state-of-the-art methods, validating our convergence and generalization results.

Engineering a high-performance race car requires a direct consideration of the human driver using real-world tests or Human-Driver-in-the-Loop simulations. Apart from that, offline simulations with human-like race driver models could make this vehicle development process more effective and efficient but are hard to obtain due to various challenges. With this work, we intend to provide a better understanding of race driver behavior and introduce an adaptive human race driver model based on imitation learning. Using existing findings and an interview with a professional race engineer, we identify fundamental adaptation mechanisms and how drivers learn to optimize lap time on a new track. Subsequently, we use these insights to develop generalization and adaptation techniques for a recently presented probabilistic driver modeling approach and evaluate it using data from professional race drivers and a state-of-the-art race car simulator. We show that our framework can create realistic driving line distributions on unseen race tracks with almost human-like performance. Moreover, our driver model optimizes its driving lap by lap, correcting driving errors from previous laps while achieving faster lap times. This work contributes to a better understanding and modeling of the human driver, aiming to expedite simulation methods in the modern vehicle development process and potentially supporting automated driving and racing technologies.

We study the Unadjusted Langevin Algorithm (ULA) for sampling from a probability distribution $\nu = e^{-f}$ on $\mathbb{R}^n$. We prove a convergence guarantee in Kullback-Leibler (KL) divergence assuming $\nu$ satisfies a log-Sobolev inequality and the Hessian of $f$ is bounded. Notably, we do not assume convexity or bounds on higher derivatives. We also prove convergence guarantees in R\'enyi divergence of order $q > 1$ assuming the limit of ULA satisfies either the log-Sobolev or Poincar\'e inequality. We also prove a bound on the bias of the limiting distribution of ULA assuming third-order smoothness of $f$, without requiring isoperimetry.

Self-supervised learning methods have shown impressive results in downstream classification tasks. However, there is limited work in understanding their failure models and interpreting the learned representations of these models. In this paper, we tackle these issues and study the representation space of self-supervised models by understanding the underlying reasons for misclassifications in a downstream task. Over several state-of-the-art self-supervised models including SimCLR, SwaV, MoCo V2 and BYOL, we observe that representations of correctly classified samples have few discriminative features with highly deviated values compared to other features. This is in a clear contrast with representations of misclassified samples. We also observe that noisy features in the representation space often correspond to spurious attributes in images making the models less interpretable. Building on these observations, we propose a sample-wise Self-Supervised Representation Quality Score (or, Q-Score) that, without access to any label information, is able to predict if a given sample is likely to be misclassified in the downstream task, achieving an AUPRC of up to 0.90. Q-Score can also be used as a regularization to remedy low-quality representations leading to 3.26% relative improvement in accuracy of SimCLR on ImageNet-100. Moreover, we show that Q-Score regularization increases representation sparsity, thus reducing noise and improving interpretability through gradient heatmaps.

Neural ordinary differential equations (ODEs) have been attracting increasing attention in various research domains recently. There have been some works studying optimization issues and approximation capabilities of neural ODEs, but their robustness is still yet unclear. In this work, we fill this important gap by exploring robustness properties of neural ODEs both empirically and theoretically. We first present an empirical study on the robustness of the neural ODE-based networks (ODENets) by exposing them to inputs with various types of perturbations and subsequently investigating the changes of the corresponding outputs. In contrast to conventional convolutional neural networks (CNNs), we find that the ODENets are more robust against both random Gaussian perturbations and adversarial attack examples. We then provide an insightful understanding of this phenomenon by exploiting a certain desirable property of the flow of a continuous-time ODE, namely that integral curves are non-intersecting. Our work suggests that, due to their intrinsic robustness, it is promising to use neural ODEs as a basic block for building robust deep network models. To further enhance the robustness of vanilla neural ODEs, we propose the time-invariant steady neural ODE (TisODE), which regularizes the flow on perturbed data via the time-invariant property and the imposition of a steady-state constraint. We show that the TisODE method outperforms vanilla neural ODEs and also can work in conjunction with other state-of-the-art architectural methods to build more robust deep networks.

Bayesian optimization (BO) is a powerful approach to sample-efficient optimization of black-box objective functions. However, the application of BO to areas such as recommendation systems often requires taking the interpretability and simplicity of the configurations into consideration, a setting that has not been previously studied in the BO literature. To make BO applicable in this setting, we present several regularization-based approaches that allow us to discover sparse and more interpretable configurations. We propose a novel differentiable relaxation based on homotopy continuation that makes it possible to target sparsity by working directly with $L_0$ regularization. We identify failure modes for regularized BO and develop a hyperparameter-free method, sparsity exploring Bayesian optimization (SEBO) that seeks to simultaneously maximize a target objective and sparsity. SEBO and methods based on fixed regularization are evaluated on synthetic and real-world problems, and we show that we are able to efficiently optimize for sparsity.

A powerful approach, and one of the most common ones in structural health monitoring (SHM), is to use data-driven models to make predictions and inferences about structures and their condition. Such methods almost exclusively rely on the quality of the data. Within the SHM discipline, data do not always suffice to build models with satisfactory accuracy for given tasks. Even worse, data may be completely missing from one's dataset, regarding the behaviour of a structure under different environmental conditions. In the current work, with a view to confronting such issues, the generation of artificial data using a variation of the generative adversarial network (GAN) algorithm, is used. The aforementioned variation is that of the conditional GAN or cGAN. The algorithm is not only used to generate artificial data, but also to learn transformations of manifolds according to some known parameters. Assuming that the structure's response is represented by points in a manifold, part of the space will be formed due to variations in external conditions affecting the structure. This idea proves efficient in SHM, as it is exploited to generate structural data for specific values of environmental coefficients. The scheme is applied here on a simulated structure which operates under different temperature and humidity conditions. The cGAN is trained on data for some discrete values of the temperature within some range, and is able to generate data for every temperature in this range with satisfactory accuracy. The novelty, compared to classic regression in similar problems, is that the cGAN allows unknown environmental parameters to affect the structure and can generate whole manifolds of data for every value of the known parameters, while the unknown ones vary within the generated manifolds.

To estimate the corneal endothelial parameters from specular microscopy images depicting cornea guttata (Fuchs endothelial dystrophy), we propose a new deep learning methodology that includes a novel attention mechanism named feedback non-local attention (fNLA). Our approach first infers the cell edges, then selects the cells that are well detected, and finally applies a postprocessing method to correct mistakes and provide the binary segmentation from which the corneal parameters are estimated (cell density [ECD], coefficient of variation [CV], and hexagonality [HEX]). In this study, we analyzed 1203 images acquired with a Topcon SP-1P microscope, 500 of which contained guttae. Manual segmentation was performed in all images. We compared the results of different networks (UNet, ResUNeXt, DenseUNets, UNet++) and found that DenseUNets with fNLA provided the best performance, with a mean absolute error of 23.16 [cells/mm$^{2}$] in ECD, 1.28 [%] in CV, and 3.13 [%] in HEX, which was 3-6 times smaller than the error obtained by Topcon's built-in software. Our approach handled the cells affected by guttae remarkably well, detecting cell edges occluded by small guttae while discarding areas covered by large guttae. fNLA made use of the local information, providing sharper edges in guttae areas and better results in the selection of well-detected cells. Overall, the proposed method obtained reliable and accurate estimations in extremely challenging specular images with guttae, being the first method in the literature to solve this problem adequately. Code is available in our GitHub.

Optical coherence tomography (OCT) imaging is a well-known technology for visualizing retinal layers and helps ophthalmologists to detect possible diseases. Accurate and early diagnosis of common retinal diseases can prevent the patients from suffering critical damages to their vision. Computer-aided diagnosis (CAD) systems can significantly assist ophthalmologists in improving their examinations. This paper presents a new enhanced deep ensemble convolutional neural network for detecting retinal diseases from OCT images. Our model generates rich and multi-resolution features by employing the learning architectures of two robust convolutional models. Spatial resolution is a critical factor in medical images, especially the OCT images that contain tiny essential points. To empower our model, we apply a new post-architecture model to our ensemble model for enhancing spatial resolution learning without increasing computational costs. The introduced post-architecture model can be deployed to any feature extraction model to improve the utilization of the feature map's spatial values. We have collected two open-source datasets for our experiments to make our models capable of detecting six crucial retinal diseases: Age-related Macular Degeneration (AMD), Central Serous Retinopathy (CSR), Diabetic Retinopathy (DR), Choroidal Neovascularization (CNV), Diabetic Macular Edema (DME), and Drusen alongside the normal cases. Our experiments on two datasets and comparing our model with some other well-known deep convolutional neural networks have proven that our architecture can increase the classification accuracy up to 5%. We hope that our proposed methods create the next step of CAD systems development and help future researches. The code of this paper is shared at https://github.com/mr7495/OCT-classification.

We consider the problem of discovering causal relations from independence constraints selection bias in addition to confounding is present. While the seminal FCI algorithm is sound and complete in this setup, no criterion for the causal interpretation of its output under selection bias is presently known. We focus instead on local patterns of independence relations, where we find no sound method for only three variable that can include background knowledge. Y-Structure patterns are shown to be sound in predicting causal relations from data under selection bias, where cycles may be present. We introduce a finite-sample scoring rule for Y-Structures that is shown to successfully predict causal relations in simulation experiments that include selection mechanisms. On real-world microarray data, we show that a Y-Structure variant performs well across different datasets, potentially circumventing spurious correlations due to selection bias.

We tackle here a specific, still not widely addressed aspect, of AI robustness, which consists of seeking invariance / insensitivity of model performance to hidden factors of variations in the data. Towards this end, we employ a two step strategy that a) does unsupervised discovery, via generative models, of sensitive factors that cause models to under-perform, and b) intervenes models to make their performance invariant to these sensitive factors' influence. We consider 3 separate interventions for robustness, including: data augmentation, semantic consistency, and adversarial alignment. We evaluate our method using metrics that measure trade offs between invariance (insensitivity) and overall performance (utility) and show the benefits of our method for 3 settings (unsupervised, semi-supervised and generalization).

Linear structural equation models represent direct causal effects as directed edges and confounding factors as bidirected edges. An open problem is to identify the causal parameters from correlations between the nodes. We investigate models, whose directed component forms a tree, and show that there, besides classical instrumental variables, missing cycles of bidirected edges can be used to identify the model. They can yield systems of quadratic equations that we explicitly solve to obtain one or two solutions for the causal parameters of adjacent directed edges. We show how multiple missing cycles can be combined to obtain a unique solution. This results in an algorithm that can identify instances that previously required approaches based on Gr\"obner bases, which have doubly-exponential time complexity in the number of structural parameters.

Human perception and behavior are affected by the situational context, in particular during social interactions. A recent study demonstrated that humans perceive visual stimuli differently depending on whether they do the task by themselves or together with a robot. Specifically, it was found that the central tendency effect is stronger in social than in non-social task settings. The particular nature of such behavioral changes induced by social interaction, and their underlying cognitive processes in the human brain are, however, still not well understood. In this paper, we address this question by training an artificial neural network inspired by the predictive coding theory on the above behavioral data set. Using this computational model, we investigate whether the change in behavior that was caused by the situational context in the human experiment could be explained by continuous modifications of a parameter expressing how strongly sensory and prior information affect perception. We demonstrate that it is possible to replicate human behavioral data in both individual and social task settings by modifying the precision of prior and sensory signals, indicating that social and non-social task settings might in fact exist on a continuum. At the same time an analysis of the neural activation traces of the trained networks provides evidence that information is coded in fundamentally different ways in the network in the individual and in the social conditions. Our results emphasize the importance of computational replications of behavioral data for generating hypotheses on the underlying cognitive mechanisms of shared perception and may provide inspiration for follow-up studies in the field of neuroscience.

Unsupervised representation learning for speech processing has matured greatly in the last few years. Work in computer vision and natural language processing has paved the way, but speech data offers unique challenges. As a result, methods from other domains rarely translate directly. We review the development of unsupervised representation learning for speech over the last decade. We identify two primary model categories: self-supervised methods and probabilistic latent variable models. We describe the models and develop a comprehensive taxonomy. Finally, we discuss and compare models from the two categories.

Deep learning-based pronunciation scoring models highly rely on the availability of the annotated non-native data, which is costly and has scalability issues. To deal with the data scarcity problem, data augmentation is commonly used for model pretraining. In this paper, we propose a phone-level mixup, a simple yet effective data augmentation method, to improve the performance of word-level pronunciation scoring. Specifically, given a phoneme sequence from lexicon, the artificial augmented word sample can be generated by randomly sampling from the corresponding phone-level features in training data, while the word score is the average of their GOP scores. Benefit from the arbitrary phone-level combination, the mixup is able to generate any word with various pronunciation scores. Moreover, we utilize multi-source information (e.g., MFCC and deep features) to further improve the scoring system performance. The experiments conducted on the Speechocean762 show that the proposed system outperforms the baseline by adding the mixup data for pretraining, with Pearson correlation coefficients (PCC) increasing from 0.567 to 0.61. The results also indicate that proposed method achieves similar performance by using 1/10 unlabeled data of baseline. In addition, the experimental results also demonstrate the efficiency of our proposed multi-source approach.

The huge demand for computation in artificial intelligence (AI) is driving unparalleled investments in new hardware and software systems for AI. This leads to an explosion in the number of specialized hardware devices, which are now part of the offerings of major cloud providers. Meanwhile, by hiding the low-level complexity through a tensor-based interface, tensor computation runtimes (TCRs) such as PyTorch allow data scientists to efficiently exploit the exciting capabilities offered by the new hardware. In this paper, we explore how databases can ride the wave of innovation happening in the AI space. Specifically, we present Tensor Query Processor (TQP): a SQL query processor leveraging the tensor interface of TCRs. TQP is able to efficiently run the full TPC-H benchmark by implementing novel algorithms for executing relational operators on the specialized tensor routines provided by TCRs. Meanwhile, TQP can target various hardware while only requiring a fraction of the usual development effort. Experiments show that TQP can improve query execution time by up to 20x over CPU-only systems, and up to 5x over specialized GPU solutions. Finally, TQP can accelerate queries mixing ML predictions and SQL end-to-end, and deliver up to 5x speedup over CPU baselines.

Deep learning has shown great potential for modeling the physical dynamics of complex particle systems such as fluids (in Lagrangian descriptions). Existing approaches, however, require the supervision of consecutive particle properties, including positions and velocities. In this paper, we consider a partially observable scenario known as fluid dynamics grounding, that is, inferring the state transitions and interactions within the fluid particle systems from sequential visual observations of the fluid surface. We propose a differentiable two-stage network named NeuroFluid. Our approach consists of (i) a particle-driven neural renderer, which involves fluid physical properties into the volume rendering function, and (ii) a particle transition model optimized to reduce the differences between the rendered and the observed images. NeuroFluid provides the first solution to unsupervised learning of particle-based fluid dynamics by training these two models jointly. It is shown to reasonably estimate the underlying physics of fluids with different initial shapes, viscosity, and densities. It is a potential alternative approach to understanding complex fluid mechanics, such as turbulence, that are difficult to model using traditional methods of mathematical physics.

The amount of manually labeled data is limited in medical applications, so semi-supervised learning and automatic labeling strategies can be an asset for training deep neural networks. However, the quality of the automatically generated labels can be uneven and inferior to manual labels. In this paper, we suggest a semi-supervised training strategy for leveraging both manually labeled data and extra unlabeled data. In contrast to the existing approaches, we apply robust loss for the automated labeled data to automatically compensate for the uneven data quality using a teacher-student framework. First, we generate pseudo-labels for unlabeled data using a teacher model pre-trained on labeled data. These pseudo-labels are noisy, and using them along with labeled data for training a deep neural network can severely degrade learned feature representations and the generalization of the network. Here we mitigate the effect of these pseudo-labels by using robust loss functions. Specifically, we use three robust loss functions, namely beta cross-entropy, symmetric cross-entropy, and generalized cross-entropy. We show that our proposed strategy improves the model performance by compensating for the uneven quality of labels in image classification as well as segmentation applications.

Despite enormous research interest and rapid application of federated learning (FL) to various areas, existing studies mostly focus on supervised federated learning under the horizontally partitioned local dataset setting. This paper will study the unsupervised FL under the vertically partitioned dataset setting. Accordingly, we propose the federated principal component analysis for vertically partitioned dataset (VFedPCA) method, which reduces the dimensionality across the joint datasets over all the clients and extracts the principal component feature information for downstream data analysis. We further take advantage of the nonlinear dimensionality reduction and propose the vertical federated advanced kernel principal component analysis (VFedAKPCA) method, which can effectively and collaboratively model the nonlinear nature existing in many real datasets. In addition, we study two communication topologies. The first is a server-client topology where a semi-trusted server coordinates the federated training, while the second is the fully-decentralized topology which further eliminates the requirement of the server by allowing clients themselves to communicate with their neighbors. Extensive experiments conducted on five types of real-world datasets corroborate the efficacy of VFedPCA and VFedAKPCA under the vertically partitioned FL setting. Code is available at: https://github.com/juyongjiang/VFedPCA-VFedAKPCA

The investigation of dynamical processes on networks has been one focus for the study of contagion processes. It has been demonstrated that contagions can be used to obtain information about the embedding of nodes in a Euclidean space. Specifically, one can use the activation times of threshold contagions to construct contagion maps as a manifold-learning approach. One drawback of contagion maps is their high computational cost. Here, we demonstrate that a truncation of the threshold contagions may considerably speed up the construction of contagion maps. Finally, we show that contagion maps may be used to find an insightful low-dimensional embedding for single-cell RNA-sequencing data in the form of cell-similarity networks and so reveal biological manifolds. Overall, our work makes the use of contagion maps as manifold-learning approaches on empirical network data more viable.

Recent methods for reinforcement learning from images use auxiliary tasks to learn image features that are used by the agent's policy or Q-function. In particular, methods based on contrastive learning that induce linearity of the latent dynamics or invariance to data augmentation have been shown to greatly improve the sample efficiency of the reinforcement learning algorithm and the generalizability of the learned embedding. We further argue, that explicitly improving Markovianity of the learned embedding is desirable and propose a self-supervised representation learning method which integrates contrastive learning with dynamic models to synergistically combine these three objectives: (1) We maximize the InfoNCE bound on the mutual information between the state- and action-embedding and the embedding of the next state to induce a linearly predictive embedding without explicitly learning a linear transition model, (2) we further improve Markovianity of the learned embedding by explicitly learning a non-linear transition model using regression, and (3) we maximize the mutual information between the two nonlinear predictions of the next embeddings based on the current action and two independent augmentations of the current state, which naturally induces transformation invariance not only for the state embedding, but also for the nonlinear transition model. Experimental evaluation on the Deepmind control suite shows that our proposed method achieves higher sample efficiency and better generalization than state-of-art methods based on contrastive learning or reconstruction.

Despite recent advances in generative modeling for text-to-speech synthesis, these models do not yet have the same fine-grained adjustability of pitch-conditioned deterministic models such as FastPitch and FastSpeech2. Pitch information is not only low-dimensional, but also discontinuous, making it particularly difficult to model in a generative setting. Our work explores several techniques for handling the aforementioned issues in the context of Normalizing Flow models. We also find this problem to be very well suited for Neural Spline flows, which is a highly expressive alternative to the more common affine-coupling mechanism in Normalizing Flows.

We consider stochastic approximation for the least squares regression problem in the non-strongly convex setting. We present the first practical algorithm that achieves the optimal prediction error rates in terms of dependence on the noise of the problem, as $O(d/t)$ while accelerating the forgetting of the initial conditions to $O(d/t^2)$. Our new algorithm is based on a simple modification of the accelerated gradient descent. We provide convergence results for both the averaged and the last iterate of the algorithm. In order to describe the tightness of these new bounds, we present a matching lower bound in the noiseless setting and thus show the optimality of our algorithm.

Many speech coders are based on linear prediction coding (LPC), nevertheless with LPC is not possible to model the nonlinearities present in the speech signal. Because of this there is a growing interest for nonlinear techniques. In this paper we discuss ADPCM schemes with a nonlinear predictor based on neural nets, which yields an increase of 1-2.5dB in the SEGSNR over classical methods. This paper will discuss the block-adaptive and sample-adaptive predictions.

Monitoring biodiversity is paramount to manage and protect natural resources, particularly in times of global change. Collecting images of organisms over large temporal or spatial scales is a promising practice to monitor and study biodiversity change of natural ecosystems, providing large amounts of data with minimal interference with the environment. Deep learning models are currently used to automate classification of organisms into taxonomic units. However, imprecision in these classifiers introduce a measurement noise that is difficult to control and can significantly hinder the analysis and interpretation of data. In our study, we show that this limitation can be overcome by ensembles of Data-efficient image Transformers (DeiTs), which significantly outperform the previous state of the art (SOTA). We validate our results on a large number of ecological imaging datasets of diverse origin, and organisms of study ranging from plankton to insects, birds, dog breeds, animals in the wild, and corals. On all the data sets we test, we achieve a new SOTA, with a reduction of the error with respect to the previous SOTA ranging from 18.48% to 87.50%, depending on the data set, and often achieving performances very close to perfect classification. The main reason why ensembles of DeiTs perform better is not due to the single-model performance of DeiTs, but rather to the fact that predictions by independent models have a smaller overlap, and this maximizes the profit gained by ensembling. This positions DeiT ensembles as the best candidate for image classification in biodiversity monitoring.

A novel approach for speech segmentation is proposed, based on Multilevel Hybrid (mean/min) Filters (MHF) with the following features: An accurate transition location. Good performance in noisy environments (gaussian and impulsive noise). The proposed method is based on spectral changes, with the goal of segmenting the voice into homogeneous acoustic segments. This algorithm is being used for phoneticallysegmented speech coder, with successful results.

Word-level adversarial attacks have shown success in NLP models, drastically decreasing the performance of transformer-based models in recent years. As a countermeasure, adversarial defense has been explored, but relatively few efforts have been made to detect adversarial examples. However, detecting adversarial examples may be crucial for automated tasks (e.g. review sentiment analysis) that wish to amass information about a certain population and additionally be a step towards a robust defense system. To this end, we release a dataset for four popular attack methods on four datasets and four models to encourage further research in this field. Along with it, we propose a competitive baseline based on density estimation that has the highest AUC on 29 out of 30 dataset-attack-model combinations. Source code is available in https://github.com/anoymous92874838/text-adv-detection.

For flexible yet safe imitation learning (IL), we propose a modular approach that uses a generative imitator policy with a safety layer, has an overall explicit density/gradient, can therefore be end-to-end trained using generative adversarial IL (GAIL), and comes with theoretical worst-case safety/robustness guarantees. The safety layer's exact density comes from using a countable non-injective gluing of piecewise differentiable injections and the change-of-variables formula. The safe set (into which the safety layer maps) is inferred by sampling actions and their potential future fail-safe fallback continuations, together with Lipschitz continuity and convexity arguments. We also provide theoretical bounds showing the advantage of using the safety layer already during training (imitation error linear in the horizon) compared to only using it at test time (quadratic error). In an experiment on challenging real-world driver interaction data, we empirically demonstrate tractability, safety and imitation performance of our approach.

Current advanced hyperparameter optimization (HPO) methods, such as Bayesian optimization, have high sampling efficiency and facilitate replicability. Nonetheless, machine learning (ML) practitioners (e.g., engineers, scientists) mostly apply less advanced HPO methods, which can increase resource consumption during HPO or lead to underoptimized ML models. Therefore, we suspect that practitioners choose their HPO method to achieve different goals, such as decrease practitioner effort and target audience compliance. To develop HPO methods that align with such goals, the reasons why practitioners decide for specific HPO methods must be unveiled and thoroughly understood. Because qualitative research is most suitable to uncover such reasons and find potential explanations for them, we conducted semi-structured interviews to explain why practitioners choose different HPO methods. The interviews revealed six principal practitioner goals (e.g., increasing model comprehension), and eleven key factors that impact decisions for HPO methods (e.g., available computing resources). We deepen the understanding about why practitioners decide for different HPO methods and outline recommendations for improvements of HPO methods by aligning them with practitioner goals.

This thesis rigorously studies fundamental reinforcement learning (RL) methods in modern practical considerations, including robust RL, distributional RL, and offline RL with neural function approximation. The thesis first prepares the readers with an overall overview of RL and key technical background in statistics and optimization. In each of the settings, the thesis motivates the problems to be studied, reviews the current literature, provides computationally efficient algorithms with provable efficiency guarantees, and concludes with future research directions. The thesis makes fundamental contributions to the three settings above, both algorithmically, theoretically, and empirically, while staying relevant to practical considerations.

Temporal link prediction, as one of the most crucial work in temporal graphs, has attracted lots of attention from the research area. The WSDM Cup 2022 seeks for solutions that predict the existence probabilities of edges within time spans over temporal graph. This paper introduces the solution of AntGraph, which wins the 1st place in the competition. We first analysis the theoretical upper-bound of the performance by removing temporal information, which implies that only structure and attribute information on the graph could achieve great performance. Based on this hypothesis, then we introduce several well-designed features. Finally, experiments conducted on the competition datasets show the superiority of our proposal, which achieved AUC score of 0.666 on dataset A and 0.902 on dataset B, the ablation studies also prove the efficiency of each feature. Code is publicly available at https://github.com/im0qianqian/WSDM2022TGP-AntGraph.

In this paper, we study the problem of regret minimization for episodic Reinforcement Learning (RL) both in the model-free and the model-based setting. We focus on learning with general function classes and general model classes, and we derive results that scale with the eluder dimension of these classes. In contrast to the existing body of work that mainly establishes instance-independent regret guarantees, we focus on the instance-dependent setting and show that the regret scales logarithmically with the horizon $T$, provided that there is a gap between the best and the second best action in every state. In addition, we show that such a logarithmic regret bound is realizable by algorithms with $O(\log T)$ switching cost (also known as adaptivity complexity). In other words, these algorithms rarely switch their policy during the course of their execution. Finally, we complement our results with lower bounds which show that even in the tabular setting, we cannot hope for regret guarantees lower than $o(\log T)$.

The Artificial Benchmark for Community Detection (ABCD) graph is a random graph model with community structure and power-law distribution for both degrees and community sizes. The model generates graphs with similar properties as the well-known LFR one, and its main parameter $\xi$ can be tuned to mimic its counterpart in the LFR model, the mixing parameter $\mu$. In this paper, we investigate various theoretical asymptotic properties of the ABCD model. In particular, we analyze the modularity function, arguably, the most important graph property of networks in the context of community detection. Indeed, the modularity function is often used to measure the presence of community structure in networks. It is also used as a quality function in many community detection algorithms, including the widely used Louvain algorithm.

In this work we study binary classification problems where we assume that our training data is subject to uncertainty, i.e. the precise data points are not known. To tackle this issue in the field of robust machine learning the aim is to develop models which are robust against small perturbations in the training data. We study robust support vector machines (SVM) and extend the classical approach by an ensemble method which iteratively solves a non-robust SVM on different perturbations of the dataset, where the perturbations are derived by an adversarial problem. Afterwards for classification of an unknown data point we perform a majority vote of all calculated SVM solutions. We study three different variants for the adversarial problem, the exact problem, a relaxed variant and an efficient heuristic variant. While the exact and the relaxed variant can be modeled using integer programming formulations, the heuristic one can be implemented by an easy and efficient algorithm. All derived methods are tested on random and realistic datasets and the results indicate that the derived ensemble methods have a much more stable behaviour when changing the protection level compared to the classical robust SVM model.

Unsupervised graph representation learning aims to distill various graph information into a downstream task-agnostic dense vector embedding. However, existing graph representation learning approaches are designed mainly under the node homophily assumption: connected nodes tend to have similar labels and optimize performance on node-centric downstream tasks. Their design is apparently against the task-agnostic principle and generally suffers poor performance in tasks, e.g., edge classification, that demands feature signals beyond the node-view and homophily assumption. To condense different feature signals into the embeddings, this paper proposes PairE, a novel unsupervised graph embedding method using two paired nodes as the basic unit of embedding to retain the high-frequency signals between nodes to support node-related and edge-related tasks. Accordingly, a multi-self-supervised autoencoder is designed to fulfill two pretext tasks: one retains the high-frequency signal better, and another enhances the representation of commonality. Our extensive experiments on a diversity of benchmark datasets clearly show that PairE outperforms the unsupervised state-of-the-art baselines, with up to 101.1\% relative improvement on the edge classification tasks that rely on both the high and low-frequency signals in the pair and up to 82.5\% relative performance gain on the node classification tasks.

We consider reinforcement learning (RL) methods in offline nonstationary environments. Many existing RL algorithms in the literature rely on the stationarity assumption that requires the system transition and the reward function to be constant over time. However, the stationarity assumption is restrictive in practice and is likely to be violated in a number of applications, including traffic signal control, robotics and mobile health. In this paper, we develop a consistent procedure to test the nonstationarity of the optimal policy based on pre-collected historical data, without additional online data collection. Based on the proposed test, we further develop a sequential change point detection method that can be naturally coupled with existing state-of-the-art RL methods for policy optimisation in nonstationary environments. The usefulness of our method is illustrated by theoretical results, simulation studies, and a real data example from the 2018 Intern Health Study. A Python implementation of the proposed procedure is available at https://github.com/limengbinggz/CUSUM-RL

An emerging trend in representation learning over knowledge graphs (KGs) moves beyond transductive link prediction tasks over a fixed set of known entities in favor of inductive tasks that imply training on one graph and performing inference over a new graph with unseen entities. In inductive setups, node features are often not available and training shallow entity embedding matrices is meaningless as they cannot be used at inference time with unseen entities. Despite the growing interest, there are not enough benchmarks for evaluating inductive representation learning methods. In this work, we introduce ILPC 2022, a novel open challenge on KG inductive link prediction. To this end, we constructed two new datasets based on Wikidata with various sizes of training and inference graphs that are much larger than existing inductive benchmarks. We also provide two strong baselines leveraging recently proposed inductive methods. We hope this challenge helps to streamline community efforts in the inductive graph representation learning area. ILPC 2022 follows best practices on evaluation fairness and reproducibility, and is available at https://github.com/pykeen/ilpc2022.

Partitioning a set of elements into a given number of groups of a priori unknown sizes is an important task in many applications. Due to hard constraints, it is a non-differentiable problem which prohibits its direct use in modern machine learning frameworks. Hence, previous works mostly fall back on suboptimal heuristics or simplified assumptions. The multivariate hypergeometric distribution offers a probabilistic formulation of how to distribute a given number of samples across multiple groups. Unfortunately, as a discrete probability distribution, it neither is differentiable. In this work, we propose a continuous relaxation for the multivariate non-central hypergeometric distribution. We introduce an efficient and numerically stable sampling procedure. This enables reparameterized gradients for the hypergeometric distribution and its integration into automatic differentiation frameworks. We highlight the applicability and usability of the proposed formulation on two different common machine learning tasks.

The growth of data today poses a challenge in management and inference. While feature extraction methods are capable of reducing the size of the data for inference, they do not help in minimizing the cost of data storage. On the other hand, feature selection helps to remove the redundant features and therefore is helpful not only in inference but also in reducing management costs. This work presents a novel parallel feature selection approach for classification, namely Parallel Feature Selection using Trace criterion (PFST), which scales up to very large datasets. Our method uses trace criterion, a measure of class separability used in Fisher's Discriminant Analysis, to evaluate feature usefulness. We analyzed the criterion's desirable properties theoretically. Based on the criterion, PFST rapidly finds important features out of a set of features for big datasets by first making a forward selection with early removal of seemingly redundant features parallelly. After the most important features are included in the model, we check back their contribution for possible interaction that may improve the fit. Lastly, we make a backward selection to check back possible redundant added by the forward steps. We evaluate our methods via various experiments using Linear Discriminant Analysis as the classifier on selected features. The experiments show that our method can produce a small set of features in a fraction of the amount of time by the other methods under comparison. In addition, the classifier trained on the features selected by PFST not only achieves better accuracy than the ones chosen by other approaches but can also achieve better accuracy than the classification on all available features.

With the Autonomous Vehicle (AV) industry shifting towards Autonomy 2.0, the performance of self-driving systems starts to rely heavily on large quantities of expert driving demonstrations. However, collecting this demonstration data typically involves expensive HD sensor suites (LiDAR + RADAR + cameras), which quickly becomes financially infeasible at the scales required. This motivates the use of commodity vision sensors for data collection, which are an order of magnitude cheaper than the HD sensor suites, but offer lower fidelity. If it were possible to leverage these for training an AV motion planner, observing the `long tail' of driving events would become a financially viable strategy. As our main contribution we show it is possible to train a high-performance motion planner using commodity vision data which outperforms planners trained on HD-sensor data for a fraction of the cost. We do this by comparing the autonomy system performance when training on these two different sensor configurations, and showing that we can compensate for the lower sensor fidelity by means of increased quantity: a planner trained on 100h of commodity vision data outperforms one with 25h of expensive HD data. We also share the technical challenges we had to tackle to make this work. To the best of our knowledge, we are the first to demonstrate that this is possible using real-world data.

Ionic Polymer Metal Composites (IPMCs) are one of the most preferred choices among biocompatible materials for industrial and biomedical applications. Despite their advantages, some of their drawbacks include non-linear and hysteretic behavior, which complicates the modeling process. In previous works, usually autoregressive models were used to predict the behavior of an IPMC actuator. The main drawback of using an autoregressive model is that it cannot be used in mobile and real-time applications. In this study, we proposed a hybrid analytical intelligent model for an IPMC actuator. The most outstanding feature of this model is its non-autoregressive structure. The hybrid concept proposed in this study can be generalized to various problems other than IPMCs. The structure used in this work comprises an analytical model and a deep neural network, providing a non-linear, dynamic, and non-autoregressive model for the IPMC actuator. Lastly, the average NMSE achieved using the proposed hybrid model is 9.5781e-04 showing a significant drop in the error rate compared to other non-autoregressive structures.

Synthetic datasets are often presented as a silver-bullet solution to the problem of privacy-preserving data publishing. However, for many applications, synthetic data has been shown to have limited utility when used to train predictive models. One promising potential application of these data is in the exploratory phase of the machine learning workflow, which involves understanding, engineering and selecting features. This phase often involves considerable time, and depends on the availability of data. There would be substantial value in synthetic data that permitted these steps to be carried out while, for example, data access was being negotiated, or with fewer information governance restrictions. This paper presents an empirical analysis of the agreement between the feature importance obtained from raw and from synthetic data, on a range of artificially generated and real-world datasets (where feature importance represents how useful each feature is when predicting a the outcome). We employ two differentially-private methods to produce synthetic data, and apply various utility measures to quantify the agreement in feature importance as this varies with the level of privacy. Our results indicate that synthetic data can sometimes preserve several representations of the ranking of feature importance in simple settings but their performance is not consistent and depends upon a number of factors. Particular caution should be exercised in more nuanced real-world settings, where synthetic data can lead to differences in ranked feature importance that could alter key modelling decisions. This work has important implications for developing synthetic versions of highly sensitive data sets in fields such as finance and healthcare.

We propose AdaFamily, a novel method for training deep neural networks. It is a family of adaptive gradient methods and can be interpreted as sort of a blend of the optimization algorithms Adam, AdaBelief and AdaMomentum. We perform experiments on standard datasets for image classification, demonstrating that our proposed method outperforms these algorithms.

Neural Architecture Search~(NAS) has attracted increasingly more attention in recent years because of its capability to design deep neural networks automatically. Among them, differential NAS approaches such as DARTS, have gained popularity for the search efficiency. However, they suffer from two main issues, the weak robustness to the performance collapse and the poor generalization ability of the searched architectures. To solve these two problems, a simple-but-efficient regularization method, termed as Beta-Decay, is proposed to regularize the DARTS-based NAS searching process. Specifically, Beta-Decay regularization can impose constraints to keep the value and variance of activated architecture parameters from too large. Furthermore, we provide in-depth theoretical analysis on how it works and why it works. Experimental results on NAS-Bench-201 show that our proposed method can help to stabilize the searching process and makes the searched network more transferable across different datasets. In addition, our search scheme shows an outstanding property of being less dependent on training time and data. Comprehensive experiments on a variety of search spaces and datasets validate the effectiveness of the proposed method.

Phase retrieval in optical imaging refers to the recovery of a complex signal from phaseless data acquired in the form of its diffraction patterns. These patterns are acquired through a system with a coherent light source that employs a diffractive optical element (DOE) to modulate the scene resulting in coded diffraction patterns at the sensor. Recently, the hybrid approach of model-driven network or deep unfolding has emerged as an effective alternative because it allows for bounding the complexity of phase retrieval algorithms while also retaining their efficacy. Additionally, such hybrid approaches have shown promise in improving the design of DOEs that follow theoretical uniqueness conditions. There are opportunities to exploit novel experimental setups and resolve even more complex DOE phase retrieval applications. This paper presents an overview of algorithms and applications of deep unfolding for bootstrapped - regardless of near, middle, and far zones - phase retrieval.

Early Time-Series Classification (ETSC) is the task of predicting the class of incoming time-series by observing as few measurements as possible. Such methods can be employed to obtain classification forecasts in many time-critical applications. However, available techniques are not equally suitable for every problem, since differentiations in the data characteristics can impact algorithm performance in terms of earliness, accuracy, F1-score, and training time. We evaluate six existing ETSC algorithms on publicly available data, as well as on two newly introduced datasets originating from the life sciences and maritime domains. Our goal is to provide a framework for the evaluation and comparison of ETSC algorithms and to obtain intuition on how such approaches perform on real-life applications. The presented framework may also serve as a benchmark for new related techniques.

Learning set functions becomes increasingly more important in many applications like product recommendation and compound selection in AI-aided drug discovery. The majority of existing works study methodologies of set function learning under the function value oracle, which, however, requires expensive supervision signals. This renders it impractical for applications with only weak supervisions under the Optimal Subset (OS) oracle, the study of which is surprisingly overlooked. In this work, we present a principled yet practical maximum likelihood learning framework, termed as EquiVSet, that simultaneously meets the following desiderata of learning set functions under the OS oracle: i) permutation invariance of the set mass function being modeled; ii) permission of varying ground set; iii) fully differentiability; iv) minimum prior; and v) scalability. The main components of our framework involve: an energy-based treatment of the set mass function, DeepSet-style architectures to handle permutation invariance, mean-field variational inference, and its amortized variants. Although the framework is embarrassingly simple, empirical studies on three real-world applications (including Amazon product recommendation, set anomaly detection and compound selection for virtual screening) demonstrate that EquiVSet outperforms the baselines by a large margin.

Neural network on Riemannian symmetric space such as hyperbolic space and the manifold of symmetric positive definite (SPD) matrices is an emerging subject of research in geometric deep learning. Based on the well-established framework of the Helgason-Fourier transform on the noncompact symmetric space, we present a fully-connected network and its associated ridgelet transform on the noncompact symmetric space, covering the hyperbolic neural network (HNN) and the SPDNet as special cases. The ridgelet transform is an analysis operator of a depth-2 continuous network spanned by neurons, namely, it maps an arbitrary given function to the weights of a network. Thanks to the coordinate-free reformulation, the role of nonlinear activation functions is revealed to be a wavelet function, and the reconstruction formula directly yields the universality of the proposed networks.

There is a growing need to assist radiologists in performing X-ray readings and diagnoses fast, comfortably, and effectively. As radiologists strive to maximize productivity, it is essential to consider the impact of reading rooms in interpreting complex examinations and ensure that higher volume and reporting speeds do not compromise patient outcomes. Virtual Reality (VR) is a disruptive technology for clinical practice in assessing X-ray images. We argue that conjugating eye-tracking with VR devices and Machine Learning may overcome obstacles posed by inadequate ergonomic postures and poor room conditions that often cause erroneous diagnostics when professionals examine digital images.

Randomized Hadamard Transforms (RHTs) have emerged as a computationally efficient alternative to the use of dense unstructured random matrices across a range of domains in computer science and machine learning. For several applications such as dimensionality reduction and compressed sensing, the theoretical guarantees for methods based on RHTs are comparable to approaches using dense random matrices with i.i.d.\ entries. However, several such applications are in the low-dimensional regime where the number of rows sampled from the matrix is rather small. Prior arguments are not applicable to the high-dimensional regime often found in machine learning applications like kernel approximation. Given an ensemble of RHTs with Gaussian diagonals, $\{M^i\}_{i = 1}^m$, and any $1$-Lipschitz function, $f: \mathbb{R} \to \mathbb{R}$, we prove that the average of $f$ over the entries of $\{M^i v\}_{i = 1}^m$ converges to its expectation uniformly over $\| v \| \leq 1$ at a rate comparable to that obtained from using truly Gaussian matrices. We use our inequality to then derive improved guarantees for two applications in the high-dimensional regime: 1) kernel approximation and 2) distance estimation. For kernel approximation, we prove the first \emph{uniform} approximation guarantees for random features constructed through RHTs lending theoretical justification to their empirical success while for distance estimation, our convergence result implies data structures with improved runtime guarantees over previous work by the authors. We believe our general inequality is likely to find use in other applications.

A seminal result in learning theory characterizes the PAC learnability of binary classes through the Vapnik-Chervonenkis dimension. Extending this characterization to the general multiclass setting has been open since the pioneering works on multiclass PAC learning in the late 1980s. This work resolves this problem: we characterize multiclass PAC learnability through the DS dimension, a combinatorial dimension defined by Daniely and Shalev-Shwartz (2014). The classical characterization of the binary case boils down to empirical risk minimization. In contrast, our characterization of the multiclass case involves a variety of algorithmic ideas; these include a natural setting we call list PAC learning. In the list learning setting, instead of predicting a single outcome for a given unseen input, the goal is to provide a short menu of predictions. Our second main result concerns the Natarajan dimension, which has been a central candidate for characterizing multiclass learnability. This dimension was introduced by Natarajan (1988) as a barrier for PAC learning. Whether the Natarajan dimension characterizes PAC learnability in general has been posed as an open question in several papers since. This work provides a negative answer: we construct a non-learnable class with Natarajan dimension one. For the construction, we identify a fundamental connection between concept classes and topology (i.e., colorful simplicial complexes). We crucially rely on a deep and involved construction of hyperbolic pseudo-manifolds by Januszkiewicz and Swiatkowski. It is interesting that hyperbolicity is directly related to learning problems that are difficult to solve although no obvious barriers exist. This is another demonstration of the fruitful links machine learning has with different areas in mathematics.

Data augmentation is a cornerstone of the machine learning pipeline, yet its theoretical underpinnings remain unclear. Is it merely a way to artificially augment the data set size? Or is it about encouraging the model to satisfy certain invariance? In this work we consider another angle, and we study the effect of data augmentation on the dynamic of the learning process. We find that data augmentation can alter the relative importance of various features, effectively making certain informative but hard to learn features more likely to be captured in the learning process. Importantly, we show that this effect is more pronounced for non-linear models, such as neural networks. Our main contribution is a detailed analysis of data augmentation on the learning dynamic for a two layer convolutional neural network in the recently proposed multi-view model by Allen-Zhu and Li [2020]. We complement this analysis with further experimental evidence that data augmentation can be viewed as a form of feature manipulation.

Recent advances in multimodal single-cell technologies have enabled simultaneous acquisitions of multiple omics data from the same cell, providing deeper insights into cellular states and dynamics. However, it is challenging to learn the joint representations from the multimodal data, model the relationship between modalities, and, more importantly, incorporate the vast amount of single-modality datasets into the downstream analyses. To address these challenges and correspondingly facilitate multimodal single-cell data analyses, three key tasks have been introduced: $\textit{modality prediction}$, $\textit{modality matching}$ and $\textit{joint embedding}$. In this work, we present a general Graph Neural Network framework $\textit{scMoGNN}$ to tackle these three tasks and show that $\textit{scMoGNN}$ demonstrates superior results in all three tasks compared with the state-of-the-art and conventional approaches. Our method is an official winner in the overall ranking of $\textit{modality prediction}$ from $\href{https://openproblems.bio/neurips_2021/}{\textit{NeurIPS 2021 Competition}}$.

We present Bayesian Spillover Graphs (BSG), a novel method for learning temporal relationships, identifying critical nodes, and quantifying uncertainty for multi-horizon spillover effects in a dynamic system. BSG leverages both an interpretable framework via forecast error variance decompositions (FEVD) and comprehensive uncertainty quantification via Bayesian time series models to contextualize temporal relationships in terms of systemic risk and prediction variability. Forecast horizon hyperparameter $h$ allows for learning both short-term and equilibrium state network behaviors. Experiments for identifying source and sink nodes under various graph and error specifications show significant performance gains against state-of-the-art Bayesian Networks and deep-learning baselines. Applications to real-world systems also showcase BSG as an exploratory analysis tool for uncovering indirect spillovers and quantifying risk.

Communication is defined as the act of sharing or exchanging information, ideas or feelings. To establish communication between two people, both of them are required to have knowledge and understanding of a common language. But in the case of deaf and dumb people, the means of communication are different. Deaf is the inability to hear and dumb is the inability to speak. They communicate using sign language among themselves and with normal people but normal people do not take seriously the importance of sign language. Not everyone possesses the knowledge and understanding of sign language which makes communication difficult between a normal person and a deaf and dumb person. To overcome this barrier, one can build a model based on machine learning. A model can be trained to recognize different gestures of sign language and translate them into English. This will help a lot of people in communicating and conversing with deaf and dumb people. The existing Indian Sing Language Recognition systems are designed using machine learning algorithms with single and double-handed gestures but they are not real-time. In this paper, we propose a method to create an Indian Sign Language dataset using a webcam and then using transfer learning, train a TensorFlow model to create a real-time Sign Language Recognition system. The system achieves a good level of accuracy even with a limited size dataset.

Estimating conditional average treatment effects (CATE) is challenging, especially when treatment information is missing. Although this is a widespread problem in practice, CATE estimation with missing treatments has received little attention. In this paper, we analyze CATE estimation in the setting with missing treatments where, thus, unique challenges arise in the form of covariate shifts. We identify two covariate shifts in our setting: (i) a covariate shift between the treated and control population; and (ii) a covariate shift between the observed and missing treatment population. We first theoretically show the effect of these covariate shifts by deriving a generalization bound for estimating CATE in our setting with missing treatments. Then, motivated by our bound, we develop the missing treatment representation network (MTRNet), a novel CATE estimation algorithm that learns a balanced representation of covariates using domain adaptation. By using balanced representations, MTRNet provides more reliable CATE estimates in the covariate domains where the data are not fully observed. In various experiments with semi-synthetic and real-world data, we show that our algorithm improves over the state-of-the-art by a substantial margin.

Image restoration is a low-level vision task which is to restore degraded images to noise-free images. With the success of deep neural networks, the convolutional neural networks surpass the traditional restoration methods and become the mainstream in the computer vision area. To advance the performanceof denoising algorithms, we propose a blind real image denoising network (SRMNet) by employing a hierarchical architecture improved from U-Net. Specifically, we use a selective kernel with residual block on the hierarchical structure called M-Net to enrich the multi-scale semantic information. Furthermore, our SRMNet has competitive performance results on two synthetic and two real-world noisy datasets in terms of quantitative metrics and visual quality. The source code and pretrained model are available at https://github.com/TentativeGitHub/SRMNet.

In the recent past a certain property of neural training trajectories in weight-space had been isolated, that of "local elasticity" ($\srel$) - which attempts to quantify the propagation of influence of a sampled data point on the prediction at another data point. In this work, we embark on a comprehensive study of local elasticity. Firstly, specific to the classification setting, we suggest a new definition of the original idea of $\srel$. Via experiments on state-of-the-art neural networks training on SVHN, CIFAR-10 and CIFAR-100 we demonstrate how our new $\srel$ detects the property of the weight updates preferring to make changes in predictions within the same class as of the sampled data. Next, we demonstrate via examples of neural regression that the original $\srel$ reveals a $2-$phase behavior: that their training proceeds via an initial elastic phase when $\srel$ changes rapidly and an eventual inelastic phase when $\srel$ remains large. Lastly, we give multiple examples of learning via gradient flows for which one can get a closed-form expression of the original $\srel$ function. By studying the plots of these derived formulas we give theoretical demonstrations of some of the experimentally detected properties of $\srel$ in the regression setting.

Recently, graph neural networks (GNNs) have been shown powerful capacity at modeling structural data. However, when adapted to downstream tasks, it usually requires abundant task-specific labeled data, which can be extremely scarce in practice. A promising solution to data scarcity is to pre-train a transferable and expressive GNN model on large amounts of unlabeled graphs or coarse-grained labeled graphs. Then the pre-trained GNN is fine-tuned on downstream datasets with task-specific fine-grained labels. In this paper, we present a novel Graph Matching based GNN Pre-Training framework, called GMPT. Focusing on a pair of graphs, we propose to learn structural correspondences between them via neural graph matching, consisting of both intra-graph message passing and inter-graph message passing. In this way, we can learn adaptive representations for a given graph when paired with different graphs, and both node- and graph-level characteristics are naturally considered in a single pre-training task. The proposed method can be applied to fully self-supervised pre-training and coarse-grained supervised pre-training. We further propose an approximate contrastive training strategy to significantly reduce time/memory consumption. Extensive experiments on multi-domain, out-of-distribution benchmarks have demonstrated the effectiveness of our approach. The code is available at: https://github.com/RUCAIBox/GMPT.

In this paper, we introduce a mesh-free physics-informed neural network for solving partial differential equations on surfaces. Based on the idea of embedding techniques, we write the underlying surface differential equations using conventional Cartesian differential operators. With the aid of level set function, the surface geometrical quantities, such as the normal and mean curvature of the surface, can be computed directly and used in our surface differential expressions. So instead of imposing the normal extension constraints used in literature, we take the whole Cartesian differential expressions into account in our loss function. Meanwhile, we adopt a completely shallow (one hidden layer) network so the present model is easy to implement and train. We perform a series of numerical experiments on both stationary and time-dependent partial differential equations on complicated surface geometries. The result shows that, with just a few hundred trainable parameters, our network model is able to achieve high predictive accuracy.

Continuous-time neural processes are performant sequential decision-makers that are built by differential equations (DE). However, their expressive power when they are deployed on computers is bottlenecked by numerical DE solvers. This limitation has significantly slowed down the scaling and understanding of numerous natural physical phenomena such as the dynamics of nervous systems. Ideally, we would circumvent this bottleneck by solving the given dynamical system in closed form. This is known to be intractable in general. Here, we show it is possible to closely approximate the interaction between neurons and synapses -- the building blocks of natural and artificial neural networks -- constructed by liquid time-constant networks (LTCs) efficiently in closed-form. To this end, we compute a tightly-bounded approximation of the solution of an integral appearing in LTCs' dynamics, that has had no known closed-form solution so far. This closed-form solution substantially impacts the design of continuous-time and continuous-depth neural models; for instance, since time appears explicitly in closed-form, the formulation relaxes the need for complex numerical solvers. Consequently, we obtain models that are between one and five orders of magnitude faster in training and inference compared to differential equation-based counterparts. More importantly, in contrast to ODE-based continuous networks, closed-form networks can scale remarkably well compared to other deep learning instances. Lastly, as these models are derived from liquid networks, they show remarkable performance in time series modeling, compared to advanced recurrent models.

Autonomous vehicles must reason about spatial occlusions in urban environments to ensure safety without being overly cautious. Prior work explored occlusion inference from observed social behaviors of road agents, hence treating people as sensors. Inferring occupancy from agent behaviors is an inherently multimodal problem; a driver may behave similarly for different occupancy patterns ahead of them (e.g., a driver may move at constant speed in traffic or on an open road). Past work, however, does not account for this multimodality, thus neglecting to model this source of aleatoric uncertainty in the relationship between driver behaviors and their environment. We propose an occlusion inference method that characterizes observed behaviors of human agents as sensor measurements, and fuses them with those from a standard sensor suite. To capture the aleatoric uncertainty, we train a conditional variational autoencoder with a discrete latent space to learn a multimodal mapping from observed driver trajectories to an occupancy grid representation of the view ahead of the driver. Our method handles multi-agent scenarios, combining measurements from multiple observed drivers using evidential theory to solve the sensor fusion problem. Our approach is validated on a cluttered, real-world intersection, outperforming baselines and demonstrating real-time capable performance. Our code is available at https://github.com/sisl/MultiAgentVariationalOcclusionInference .

We consider the decentralized stochastic optimization problems, where a network of $n$ nodes, each owning a local cost function, cooperate to find a minimizer of the globally-averaged cost. A widely studied decentralized algorithm for this problem is decentralized SGD (D-SGD), in which each node averages only with its neighbors. D-SGD is efficient in single-iteration communication, but it is very sensitive to the network topology. For smooth objective functions, the transient stage (which measures the number of iterations the algorithm has to experience before achieving the linear speedup stage) of D-SGD is on the order of ${\Omega}(n/(1-\beta)^2)$ and $\Omega(n^3/(1-\beta)^4)$ for strongly and generally convex cost functions, respectively, where $1-\beta \in (0,1)$ is a topology-dependent quantity that approaches $0$ for a large and sparse network. Hence, D-SGD suffers from slow convergence for large and sparse networks. In this work, we study the non-asymptotic convergence property of the D$^2$/Exact-diffusion algorithm. By eliminating the influence of data heterogeneity between nodes, D$^2$/Exact-diffusion is shown to have an enhanced transient stage that is on the order of $\tilde{\Omega}(n/(1-\beta))$ and $\Omega(n^3/(1-\beta)^2)$ for strongly and generally convex cost functions, respectively. Moreover, when D$^2$/Exact-diffusion is implemented with gradient accumulation and multi-round gossip communications, its transient stage can be further improved to $\tilde{\Omega}(1/(1-\beta)^{\frac{1}{2}})$ and $\tilde{\Omega}(n/(1-\beta))$ for strongly and generally convex cost functions, respectively. These established results for D$^2$/Exact-Diffusion have the best (i.e., weakest) dependence on network topology to our knowledge compared to existing decentralized algorithms. We also conduct numerical simulations to validate our theories.

We describe a method for approximating a single-variable function $f$ using persistence diagrams of sublevel sets of $f$ from height functions in different directions. We provide algorithms for the piecewise linear case and for the smooth case. Three directions suffice to locate all local maxima and minima of a piecewise linear continuous function from its collection of directional persistence diagrams, while five directions are needed in the case of smooth functions with non-degenerate critical points. Our approximation of functions by means of persistence diagrams is motivated by a study of importance attribution in machine learning, where one seeks to reduce the number of critical points of signal functions without a significant loss of information for a neural network classifier.

This paper studies the complex task of simultaneous multi-object 3D reconstruction, 6D pose and size estimation from a single-view RGB-D observation. In contrast to instance-level pose estimation, we focus on a more challenging problem where CAD models are not available at inference time. Existing approaches mainly follow a complex multi-stage pipeline which first localizes and detects each object instance in the image and then regresses to either their 3D meshes or 6D poses. These approaches suffer from high-computational cost and low performance in complex multi-object scenarios, where occlusions can be present. Hence, we present a simple one-stage approach to predict both the 3D shape and estimate the 6D pose and size jointly in a bounding-box free manner. In particular, our method treats object instances as spatial centers where each center denotes the complete shape of an object along with its 6D pose and size. Through this per-pixel representation, our approach can reconstruct in real-time (40 FPS) multiple novel object instances and predict their 6D pose and sizes in a single-forward pass. Through extensive experiments, we demonstrate that our approach significantly outperforms all shape completion and categorical 6D pose and size estimation baselines on multi-object ShapeNet and NOCS datasets respectively with a 12.6% absolute improvement in mAP for 6D pose for novel real-world object instances.

The area under the ROC curve (AUC) is one of the most widely used performance measures for classification models in machine learning. However, it summarizes the true positive rates (TPRs) over all false positive rates (FPRs) in the ROC space, which may include the FPRs with no practical relevance in some applications. The partial AUC, as a generalization of the AUC, summarizes only the TPRs over a specific range of the FPRs and is thus a more suitable performance measure in many real-world situations. Although partial AUC optimization in a range of FPRs had been studied, existing algorithms are not scalable to big data and not applicable to deep learning. To address this challenge, we cast the problem into a non-smooth difference-of-convex (DC) program for any smooth predictive functions (e.g., deep neural networks), which allowed us to develop an efficient approximated gradient descent method based on the Moreau envelope smoothing technique, inspired by recent advances in non-smooth DC optimization. To increase the efficiency of large data processing, we used an efficient stochastic block coordinate update in our algorithm. Our proposed algorithm can also be used to minimize the sum of ranked range loss, which also lacks efficient solvers. We established a complexity of $\tilde O(1/\epsilon^6)$ for finding a nearly $\epsilon$-critical solution. Finally, we numerically demonstrated the effectiveness of our proposed algorithms for both partial AUC maximization and sum of ranked range loss minimization.

Recent studies show that the state-of-the-art deep neural networks are vulnerable to model inversion attacks, in which access to a model is abused to reconstruct private training data of any given target class. Existing attacks rely on having access to either the complete target model (whitebox) or the model's soft-labels (blackbox). However, no prior work has been done in the harder but more practical scenario, in which the attacker only has access to the model's predicted label, without a confidence measure. In this paper, we introduce an algorithm, Boundary-Repelling Model Inversion (BREP-MI), to invert private training data using only the target model's predicted labels. The key idea of our algorithm is to evaluate the model's predicted labels over a sphere and then estimate the direction to reach the target class's centroid. Using the example of face recognition, we show that the images reconstructed by BREP-MI successfully reproduce the semantics of the private training data for various datasets and target model architectures. We compare BREP-MI with the state-of-the-art whitebox and blackbox model inversion attacks and the results show that despite assuming less knowledge about the target model, BREP-MI outperforms the blackbox attack and achieves comparable results to the whitebox attack.

In this paper we present a deep learning method to predict the time evolution of dissipative dynamical systems. We propose using both geometric and thermodynamic inductive biases to improve accuracy and generalization of the resulting integration scheme. The first is achieved with Graph Neural Networks, which induces a non-Euclidean geometrical prior and permutation invariant node and edge update functions. The second bias is forced by learning the GENERIC structure of the problem, an extension of the Hamiltonian formalism, to model more general non-conservative dynamics. Several examples are provided in both Eulerian and Lagrangian description in the context of fluid and solid mechanics respectively.

Standard Bayesian learning is known to have suboptimal generalization capabilities under model misspecification and in the presence of outliers. PAC-Bayes theory demonstrates that the free energy criterion minimized by Bayesian learning is a bound on the generalization error for Gibbs predictors (i.e., for single models drawn at random from the posterior) under the assumption of sampling distributions uncontaminated by outliers. This viewpoint provides a justification for the limitations of Bayesian learning when the model is misspecified, requiring ensembling, and when data is affected by outliers. In recent work, PAC-Bayes bounds - referred to as PAC$^m$ - were derived to introduce free energy metrics that account for the performance of ensemble predictors, obtaining enhanced performance under misspecification. This work presents a novel robust free energy criterion that combines the generalized logarithm score function with PAC$^m$ ensemble bounds. The proposed free energy training criterion produces predictive distributions that are able to concurrently counteract the detrimental effects of model misspecification and outliers.

We study the problem of safe and socially aware robot navigation in dense and interactive human crowds. Previous works use simplified methods to model the personal spaces of pedestrians and ignore the social compliance of the robot behaviors. In this paper, we provide a more accurate representation of personal zones of walking pedestrians with their future trajectories. The predicted personal zones are incorporated into a reinforcement learning framework to prevent the robot from intruding into the personal zones. To learn socially aware navigation policies, we propose a novel recurrent graph neural network with attention mechanisms to capture the interactions among agents through space and time. We demonstrate that our method enables the robot to achieve good navigation performance and non-invasiveness in challenging crowd navigation scenarios. We successfully transfer the policy learned in the simulator to a real-world TurtleBot 2i.

Deep neural networks are able to memorize noisy labels easily with a softmax cross-entropy (CE) loss. Previous studies attempted to address this issue focus on incorporating a noise-robust loss function to the CE loss. However, the memorization issue is alleviated but still remains due to the non-robust CE loss. To address this issue, we focus on learning robust contrastive representations of data on which the classifier is hard to memorize the label noise under the CE loss. We propose a novel contrastive regularization function to learn such representations over noisy data where label noise does not dominate the representation learning. By theoretically investigating the representations induced by the proposed regularization function, we reveal that the learned representations keep information related to true labels and discard information related to corrupted labels. Moreover, our theoretical results also indicate that the learned representations are robust to the label noise. The effectiveness of this method is demonstrated with experiments on benchmark datasets.

A topic model is often formulated as a generative model that explains how each word of a document is generated given a set of topics and document-specific topic proportions. It is focused on capturing the word co-occurrences in a document and hence often suffers from poor performance in analyzing short documents. In addition, its parameter estimation often relies on approximate posterior inference that is either not scalable or suffers from large approximation error. This paper introduces a new topic-modeling framework where each document is viewed as a set of word embedding vectors and each topic is modeled as an embedding vector in the same embedding space. Embedding the words and topics in the same vector space, we define a method to measure the semantic difference between the embedding vectors of the words of a document and these of the topics, and optimize the topic embeddings to minimize the expected difference over all documents. Experiments on text analysis demonstrate that the proposed method, which is amenable to mini-batch stochastic gradient descent based optimization and hence scalable to big corpora, provides competitive performance in discovering more coherent and diverse topics and extracting better document representations.

We provide improved differentially private algorithms for identity testing of high-dimensional distributions. Specifically, for $d$-dimensional Gaussian distributions with known covariance $\Sigma$, we can test whether the distribution comes from $\mathcal{N}(\mu^*, \Sigma)$ for some fixed $\mu^*$ or from some $\mathcal{N}(\mu, \Sigma)$ with total variation distance at least $\alpha$ from $\mathcal{N}(\mu^*, \Sigma)$ with $(\varepsilon, 0)$-differential privacy, using only \[\tilde{O}\left(\frac{d^{1/2}}{\alpha^2} + \frac{d^{1/3}}{\alpha^{4/3} \cdot \varepsilon^{2/3}} + \frac{1}{\alpha \cdot \varepsilon}\right)\] samples if the algorithm is allowed to be computationally inefficient, and only \[\tilde{O}\left(\frac{d^{1/2}}{\alpha^2} + \frac{d^{1/4}}{\alpha \cdot \varepsilon}\right)\] samples for a computationally efficient algorithm. We also provide a matching lower bound showing that our computationally inefficient algorithm has optimal sample complexity. We also extend our algorithms to various related problems, including mean testing of Gaussians with bounded but unknown covariance, uniformity testing of product distributions over $\{\pm 1\}^d$, and tolerant testing. Our results improve over the previous best work of Canonne, Kamath, McMillan, Ullman, and Zakynthinou \cite{CanonneKMUZ20} for both computationally efficient and inefficient algorithms, and even our computationally efficient algorithm matches the optimal \emph{non-private} sample complexity of $O\left(\frac{\sqrt{d}}{\alpha^2}\right)$ in many standard parameter settings. In addition, our results show that, surprisingly, private identity testing of $d$-dimensional Gaussians can be done with fewer samples than private identity testing of discrete distributions over a domain of size $d$ \cite{AcharyaSZ18}, which refutes a conjectured lower bound of Canonne et al. \cite{CanonneKMUZ20}.

Weakly supervised object localization (WSOL) focuses on localizing objects only with the supervision of image-level classification masks. Most previous WSOL methods follow the classification activation map (CAM) that localizes objects based on the classification structure with the multi-instance learning (MIL) mechanism. However, the MIL mechanism makes CAM only activate discriminative object parts rather than the whole object, weakening its performance for localizing objects. To avoid this problem, this work provides a novel perspective that models WSOL as a domain adaption (DA) task, where the score estimator trained on the source/image domain is tested on the target/pixel domain to locate objects. Under this perspective, a DA-WSOL pipeline is designed to better engage DA approaches into WSOL to enhance localization performance. It utilizes a proposed target sampling strategy to select different types of target samples. Based on these types of target samples, domain adaption localization (DAL) loss is elaborated. It aligns the feature distribution between the two domains by DA and makes the estimator perceive target domain cues by Universum regularization. Experiments show that our pipeline outperforms SOTA methods on multi benchmarks. Code are released at \url{https://github.com/zh460045050/DA-WSOL_CVPR2022}.

Vertical federated learning (vFL) has gained much attention and been deployed to solve machine learning problems with data privacy concerns in recent years. However, some recent work demonstrated that vFL is vulnerable to privacy leakage even though only the forward intermediate embedding (rather than raw features) and backpropagated gradients (rather than raw labels) are communicated between the involved participants. As the raw labels often contain highly sensitive information, some recent work has been proposed to prevent the label leakage from the backpropagated gradients effectively in vFL. However, these work only identified and defended the threat of label leakage from the backpropagated gradients. None of these work has paid attention to the problem of label leakage from the intermediate embedding. In this paper, we propose a practical label inference method which can steal private labels effectively from the shared intermediate embedding even though some existing protection methods such as label differential privacy and gradients perturbation are applied. The effectiveness of the label attack is inseparable from the correlation between the intermediate embedding and corresponding private labels. To mitigate the issue of label leakage from the forward embedding, we add an additional optimization goal at the label party to limit the label stealing ability of the adversary by minimizing the distance correlation between the intermediate embedding and corresponding private labels. We conducted massive experiments to demonstrate the effectiveness of our proposed protection methods.

Attempts have been made recently in the field of population-based structural health monitoring (PBSHM), to transfer knowledge between SHM models of different structures. The attempts have been focussed on homogeneous and heterogeneous populations. A more general approach to transferring knowledge between structures, is by considering all plausible structures as points on a multidimensional base manifold and building a fibre bundle. The idea is quite powerful, since, a mapping between points in the base manifold and their fibres, the potential states of any arbitrary structure, can be learnt. A smaller scale problem, but still useful, is that of learning a specific point of every fibre, i.e. that corresponding to the undamaged state of structures within a population. Under the framework of PBSHM, a data-driven approach to the aforementioned problem is developed. Structures are converted into graphs and inference is attempted within a population, using a graph neural network (GNN) algorithm. The algorithm solves a major problem existing in such applications. Structures comprise different sizes and are defined as abstract objects, thus attempting to perform inference within a heterogeneous population is not trivial. The proposed approach is tested in a simulated population of trusses. The goal of the application is to predict the first natural frequency of trusses of different sizes, across different environmental temperatures and having different bar member types. After training the GNN using part of the total population, it was tested on trusses that were not included in the training dataset. Results show that the accuracy of the regression is satisfactory even in structures with higher number of nodes and members than those used to train it.

Owing to security implications of adversarial vulnerability, adversarial robustness of deep metric learning models has to be improved. In order to avoid model collapse due to excessively hard examples, the existing defenses dismiss the min-max adversarial training, but instead learn from a weak adversary inefficiently. Conversely, we propose Hardness Manipulation to efficiently perturb the training triplet till a specified level of hardness for adversarial training, according to a harder benign triplet or a pseudo-hardness function. It is flexible since regular training and min-max adversarial training are its boundary cases. Besides, Gradual Adversary, a family of pseudo-hardness functions is proposed to gradually increase the specified hardness level during training for a better balance between performance and robustness. Additionally, an Intra-Class Structure loss term among benign and adversarial examples further improves model robustness and efficiency. Comprehensive experimental results suggest that the proposed method, although simple in its form, overwhelmingly outperforms the state-of-the-art defenses in terms of robustness, training efficiency, as well as performance on benign examples.

Motivation: A branching processes model yields an unevenly stochastically distributed dataset that consists of sparse and dense regions. This work addresses the problem of precisely evaluating parameters for such a model. Applying a branching processes model to an area such as cancer cell evolution faces a number of obstacles, including high dimensionality and the rare appearance of a result of interest. We take on the ambitious task of obtaining the coefficients of a model that reflects the relationship of driver gene mutations and cancer hallmarks on the basis of personal data regarding variant allele frequencies. Results: An approximate Bayesian computation method based on Isolation Kernel is developed. The method involves the transformation of row data to a Hilbert space (mapping) and the measurement of the similarity between simulated points and maxima weighted Isolation Kernel mapping related to the observation point. We also design a heuristic algorithm for parameter estimation that requires no calculation and is dimension independent. The advantages of the proposed machine learning method are illustrated using multidimensional test data as well as a specific example focused on cancer cell evolution.

We present Knowledge Distillation with Meta Learning (MetaDistil), a simple yet effective alternative to traditional knowledge distillation (KD) methods where the teacher model is fixed during training. We show the teacher network can learn to better transfer knowledge to the student network (i.e., learning to teach) with the feedback from the performance of the distilled student network in a meta learning framework. Moreover, we introduce a pilot update mechanism to improve the alignment between the inner-learner and meta-learner in meta learning algorithms that focus on an improved inner-learner. Experiments on various benchmarks show that MetaDistil can yield significant improvements compared with traditional KD algorithms and is less sensitive to the choice of different student capacity and hyperparameters, facilitating the use of KD on different tasks and models.

Single image generation (SIG), described as generating diverse samples that have similar visual content with the given single image, is first introduced by SinGAN which builds a pyramid of GANs to progressively learn the internal patch distribution of the single image. It also shows great potentials in a wide range of image manipulation tasks. However, the paradigm of SinGAN has limitations in terms of generation quality and training time. Firstly, due to the lack of high-level information, SinGAN cannot handle the object images well as it does on the scene and texture images. Secondly, the separate progressive training scheme is time-consuming and easy to cause artifact accumulation. To tackle these problems, in this paper, we dig into the SIG problem and improve SinGAN by fully-utilization of internal and external priors. The main contributions of this paper include: 1) We introduce to SIG a regularized latent variable model. To the best of our knowledge, it is the first time to give a clear formulation and optimization goal of SIG, and all the existing methods for SIG can be regarded as special cases of this model. 2) We design a novel Prior-based end-to-end training GAN (PetsGAN) to overcome the problems of SinGAN. Our method gets rid of the time-consuming progressive training scheme and can be trained end-to-end. 3) We construct abundant qualitative and quantitative experiments to show the superiority of our method on both generated image quality, diversity, and the training speed. Moreover, we apply our method to other image manipulation tasks (e.g., style transfer, harmonization), and the results further prove the effectiveness and efficiency of our method.  ( 2 min )

Cancer is one of the leading causes of death in the developed world. Cancer diagnosis is performed through the microscopic analysis of a sample of suspicious tissue. This process is time consuming and error prone, but Deep Learning models could be helpful for pathologists during cancer diagnosis. We propose to change the CenterNet2 object detection model to also perform instance segmentation, which we call SegCenterNet2. We train SegCenterNet2 in the CoNIC challenge dataset and show that it performs better than Mask R-CNN in the competition metrics.  ( 2 min )

Spurious correlations pose a major challenge for robust machine learning. Models trained with empirical risk minimization (ERM) may learn to rely on correlations between class labels and spurious attributes, leading to poor performance on data groups without these correlations. This is particularly challenging to address when spurious attribute labels are unavailable. To improve worst-group performance on spuriously correlated data without training attribute labels, we propose Correct-N-Contrast (CNC), a contrastive approach to directly learn representations robust to spurious correlations. As ERM models can be good spurious attribute predictors, CNC works by (1) using a trained ERM model's outputs to identify samples with the same class but dissimilar spurious features, and (2) training a robust model with contrastive learning to learn similar representations for same-class samples. To support CNC, we introduce new connections between worst-group error and a representation alignment loss that CNC aims to minimize. We empirically observe that worst-group error closely tracks with alignment loss, and prove that the alignment loss over a class helps upper-bound the class's worst-group vs. average error gap. On popular benchmarks, CNC reduces alignment loss drastically, and achieves state-of-the-art worst-group accuracy by 3.6% average absolute lift. CNC is also competitive with oracle methods that require group labels.  ( 2 min )

Adaptive gradient methods are the method of choice for optimization in machine learning and used to train the largest deep models. In this paper we study the problem of learning a local preconditioner, that can change as the data is changing along the optimization trajectory. We propose an adaptive gradient method that has provable adaptive regret guarantees vs. the best local preconditioner. To derive this guarantee, we prove a new adaptive regret bound in online learning that improves upon previous adaptive online learning methods. We demonstrate the robustness of our method in automatically choosing the optimal learning rate schedule for popular benchmarking tasks in vision and language domains. Without the need to manually tune a learning rate schedule, our method can, in a single run, achieve comparable and stable task accuracy as a fine-tuned optimizer.  ( 2 min )

Information retrieval systems are usually measured by labeling the relevance of results corresponding to a sample of user queries. In practical search engines, such measurement needs to be performed continuously, such as daily or weekly. This creates a trade-off between (a) representativeness of query sample to current query traffic of the product; (b) labeling cost: if we keep the same query sample, results would be similar allowing us to reuse their labels; and (c) overfitting caused by continuous usage of same query sample. In this paper we explicitly formulate this tradeoff, propose two new variants -- Stable and Semi-stable -- to simple and weighted random sampling and show that they outperform existing approaches for the continuous usage settings, including monitoring/debugging search engine or comparing ranker candidates.  ( 2 min )

Few-Shot Learning (FSL) is a challenging task, which aims to recognize novel classes with few examples. Recently, lots of methods have been proposed from the perspective of meta-learning and representation learning for improving FSL performance. However, few works focus on the interpretability of FSL decision process. In this paper, we take a step towards the interpretable FSL by proposing a novel decision tree-based meta-learning framework, namely, MetaDT. Our insight is replacing the last black-box FSL classifier of the existing representation learning methods by an interpretable decision tree with meta-learning. The key challenge is how to effectively learn the decision tree (i.e., the tree structure and the parameters of each node) in the FSL setting. To address the challenge, we introduce a tree-like class hierarchy as our prior: 1) the hierarchy is directly employed as the tree structure; 2) by regarding the class hierarchy as an undirected graph, a graph convolution-based decision tree inference network is designed as our meta-learner to learn to infer the parameters of each node. At last, a two-loop optimization mechanism is incorporated into our framework for a fast adaptation of the decision tree with few examples. Extensive experiments on performance comparison and interpretability analysis show the effectiveness and superiority of our MetaDT. Our code will be publicly available upon acceptance.  ( 2 min )

Bayesian optimization is a technique for optimizing black-box target functions. At the core of Bayesian optimization is a surrogate model that predicts the output of the target function at previously unseen inputs to facilitate the selection of promising input values. Gaussian processes (GPs) are commonly used as surrogate models but are known to scale poorly with the number of observations. We adapt the Vecchia approximation, a popular GP approximation from spatial statistics, to enable scalable high-dimensional Bayesian optimization. We develop several improvements and extensions, including training warped GPs using mini-batch gradient descent, approximate neighbor search, and selecting multiple input values in parallel. We focus on the use of our warped Vecchia GP in trust-region Bayesian optimization via Thompson sampling. On several test functions and on two reinforcement-learning problems, our methods compared favorably to the state of the art.  ( 2 min )

Hyperspectral pixel intensities result from a mixing of reflectances from several materials. This paper develops a method of hyperspectral pixel {\it unmixing} that aims to recover the "pure" spectral signal of each material (hereafter referred to as {\it endmembers}) together with the mixing ratios ({\it abundances}) given the spectrum of a single pixel. The unmixing problem is particularly relevant in the case of low-resolution hyperspectral images captured in a remote sensing setting, where individual pixels can cover large regions of the scene. Under the assumptions that (1) a multivariate Normal distribution can represent the spectra of an endmember and (2) a Dirichlet distribution can encode abundances of different endmembers, we develop a Latent Dirichlet Variational Autoencoder for hyperspectral pixel unmixing. Our approach achieves state-of-the-art results on standard benchmarks and on synthetic data generated using United States Geological Survey spectral library.  ( 2 min )

Open set segmentation is a relatively new and unexploredtask, with just a handful of methods proposed to model suchtasks.We propose a novel method called CoReSeg thattackles the issue using class conditional reconstruction ofthe input images according to their pixelwise mask. Ourmethod conditions each input pixel to all known classes,expecting higher errors for pixels of unknown classes. Itwas observed that the proposed method produces better se-mantic consistency in its predictions, resulting in cleanersegmentation maps that better fit object boundaries. CoRe-Seg outperforms state-of-the-art methods on the Vaihin-gen and Potsdam ISPRS datasets, while also being com-petitive on the Houston 2018 IEEE GRSS Data Fusiondataset. Official implementation for CoReSeg is availableat:https://github.com/iannunes/CoReSeg.  ( 2 min )

The extensive use of online social media has highlighted the importance of privacy in the digital space. As more scientists analyse the data created in these platforms, privacy concerns have extended to data usage within the academia. Although text analysis is a well documented topic in academic literature with a multitude of applications, ensuring privacy of user-generated content has been overlooked. Most sentiment analysis methods require emotion labels, which can be obtained through crowdsourcing, where non-expert individuals contribute to scientific tasks. The text itself has to be exposed to third parties in order to be labelled. In an effort to reduce the exposure of online users' information, we propose a privacy preserving text labelling method for varying applications, based in crowdsourcing. We transform text with different levels of privacy, and analyse the effectiveness of the transformation with regards to label correlation and consistency. Our results suggest that privacy can be implemented in labelling, retaining the annotational diversity and subjectivity of traditional labelling.  ( 2 min )

Prioritizing fairness is of central importance in artificial intelligence (AI) systems, especially for those societal applications, e.g., hiring systems should recommend applicants equally from different demographic groups, and risk assessment systems must eliminate racism in criminal justice. Existing efforts towards the ethical development of AI systems have leveraged data science to mitigate biases in the training set or introduced fairness principles into the training process. For a deployed AI system, however, it may not allow for retraining or tuning in practice. By contrast, we propose a more flexible approach, i.e., fairness-aware adversarial perturbation (FAAP), which learns to perturb input data to blind deployed models on fairness-related features, e.g., gender and ethnicity. The key advantage is that FAAP does not modify deployed models in terms of parameters and structures. To achieve this, we design a discriminator to distinguish fairness-related attributes based on latent representations from deployed models. Meanwhile, a perturbation generator is trained against the discriminator, such that no fairness-related features could be extracted from perturbed inputs. Exhaustive experimental evaluation demonstrates the effectiveness and superior performance of the proposed FAAP. In addition, FAAP is validated on real-world commercial deployments (inaccessible to model parameters), which shows the transferability of FAAP, foreseeing the potential of black-box adaptation.  ( 2 min )

We introduce a set of image transformations that can be used as `corruptions' to evaluate the robustness of models as well as `data augmentation' mechanisms for training neural networks. The primary distinction of the proposed transformations is that, unlike existing approaches such as Common Corruptions, the geometry of the scene is incorporated in the transformations -- thus leading to corruptions that are more likely to occur in the real world. We show these transformations are `efficient' (can be computed on-the-fly), `extendable' (can be applied on most datasets of real images), expose vulnerability of existing models, and can effectively make models more robust when employed as `3D data augmentation' mechanisms. Our evaluations performed on several tasks and datasets suggest incorporating 3D information into robustness benchmarking and training opens up a promising direction for robustness research.  ( 2 min )

Cut-based directed graph (digraph) clustering often focuses on finding dense within-cluster or sparse between-cluster connections, similar to cut-based undirected graph clustering methods. In contrast, for flow-based clusterings the edges between clusters tend to be oriented in one direction and have been found in migration data, food webs, and trade data. In this paper we introduce a spectral algorithm for finding flow-based clusterings. The proposed algorithm is based on recent work which uses complex-valued Hermitian matrices to represent digraphs. By establishing an algebraic relationship between a complex-valued Hermitian representation and an associated real-valued, skew-symmetric matrix the proposed algorithm produces clusterings while remaining completely in the real field. Our algorithm uses less memory and asymptotically less computation while provably preserving solution quality. We also show the algorithm can be easily implemented using standard computational building blocks, possesses better numerical properties, and loans itself to a natural interpretation via an objective function relaxation argument.  ( 2 min )

Recently, prompt-based learning for pre-trained language models has succeeded in few-shot Named Entity Recognition (NER) by exploiting prompts as task guidance to increase label efficiency. However, previous prompt-based methods for few-shot NER have limitations such as a higher computational complexity, poor zero-shot ability, requiring manual prompt engineering, or lack of prompt robustness. In this work, we address these shortcomings by proposing a new prompt-based learning NER method with Question Answering (QA), called QaNER. Our approach includes 1) a refined strategy for converting NER problems into the QA formulation; 2) NER prompt generation for QA models; 3) prompt-based tuning with QA models on a few annotated NER examples; 4) zero-shot NER by prompting the QA model. Comparing the proposed approach with previous methods, QaNER is faster at inference, insensitive to the prompt quality, and robust to hyper-parameters, as well as demonstrating significantly better low-resource performance and zero-shot capability.  ( 2 min )

Machine learning methods have been shown to give accurate predictions in high dimensions provided that sufficient training data are available. Yet, many interesting questions in science and engineering involve situations where initially no data are available and the principal aim is to gather insights from a known model. Here we consider this problem in the context of systems whose evolution can be described by partial differential equations (PDEs). We use deep learning to solve these equations by generating data on-the-fly when and where they are needed, without prior information about the solution. The proposed Neural Galerkin schemes derive nonlinear dynamical equations for the network weights by minimization of the residual of the time derivative of the solution, and solve these equations using standard integrators for initial value problems. The sequential learning of the weights over time allows for adaptive collection of new input data for residual estimation. This step uses importance sampling informed by the current state of the solution, in contrast with other machine learning methods for PDEs that optimize the network parameters globally in time. This active form of data acquisition is essential to enable the approximation power of the neural networks and to break the curse of dimensionality faced by non-adaptative learning strategies. The applicability of the method is illustrated on several numerical examples involving high-dimensional PDEs, including advection equations with many variables, as well as Fokker-Planck equations for systems with several interacting particles.  ( 2 min )

Physics-Informed Neural Networks (PINNs) have received increased interest for forward, inverse, and surrogate modeling of problems described by partial differential equations (PDE). However, their application to multiphysics problem, governed by several coupled PDEs, present unique challenges that have hindered the robustness and widespread applicability of this approach. Here we investigate the application of PINNs to the forward solution of problems involving thermo-hydro-mechanical (THM) processes in porous media, which exhibit disparate spatial and temporal scales in thermal conductivity, hydraulic permeability, and elasticity. In addition, PINNs are faced with the challenges of the multi-objective and non-convex nature of the optimization problem. To address these fundamental issues, we: (1)~rewrite the THM governing equations in dimensionless form that is best suited for deep-learning algorithms; (2)~propose a sequential training strategy that circumvents the need for a simultaneous solution of the multiphysics problem and facilitates the task of optimizers in the solution search; and (3)~leverage adaptive weight strategies to overcome the stiffness in the gradient flow of the multi-objective optimization problem. Finally, we apply this framework to the solution of several synthetic problems in 1D and~2D.  ( 2 min )

Chronic Kidney Disease (CKD) has infected almost 800 million people around the world. Around 1.7 million people die each year because of it. Detecting CKD in the initial stage is essential for saving millions of lives. Many researchers have applied distinct Machine Learning (ML) methods to detect CKD at an early stage, but detailed studies are still missing. We present a structured and thorough method for dealing with the complexities of medical data with optimal performance. Besides, this study will assist researchers in producing clear ideas on the medical data preparation pipeline. In this paper, we applied KNN Imputation to impute missing values, Local Outlier Factor to remove outliers, SMOTE to handle data imbalance, K-stratified K-fold Cross-validation to validate the ML models, and a novel hybrid feature selection method to remove redundant features. Applied algorithms in this study are Support Vector Machine, Gaussian Naive Bayes, Decision Tree, Random Forest, Logistic Regression, K-Nearest Neighbor, Gradient Boosting, Adaptive Boosting, and Extreme Gradient Boosting. Finally, the Random Forest can detect CKD with 100% accuracy without any data leakage.  ( 2 min )

With the widespread adoption of deep learning, reinforcement learning (RL) has experienced a dramatic increase in popularity, scaling to previously intractable problems, such as playing complex games from pixel observations, sustaining conversations with humans, and controlling robotic agents. However, there is still a wide range of domains inaccessible to RL due to the high cost and danger of interacting with the environment. Offline RL is a paradigm that learns exclusively from static datasets of previously collected interactions, making it feasible to extract policies from large and diverse training datasets. Effective offline RL algorithms have a much wider range of applications than online RL, being particularly appealing for real-world applications such as education, healthcare, and robotics. In this work, we propose a unifying taxonomy to classify offline RL methods. Furthermore, we provide a comprehensive review of the latest algorithmic breakthroughs in the field, and a review of existing benchmarks' properties and shortcomings. Finally, we provide our perspective on open problems and propose future research directions for this rapidly growing field.  ( 2 min )

Weak Supervision (WS) techniques allow users to efficiently create large training datasets by programmatically labeling data with heuristic sources of supervision. While the success of WS relies heavily on the provided labeling heuristics, the process of how these heuristics are created in practice has remained under-explored. In this work, we formalize the development process of labeling heuristics as an interactive procedure, built around the existing workflow where users draw ideas from a selected set of development data for designing the heuristic sources. With the formalism, we study two core problems of how to strategically select the development data to guide users in efficiently creating informative heuristics, and how to exploit the information within the development process to contextualize and better learn from the resultant heuristics. Building upon two novel methodologies that effectively tackle the respective problems considered, we present Nemo, an end-to-end interactive system that improves the overall productivity of WS learning pipeline by an average 20% (and up to 47% in one task) compared to the prevailing WS approach.  ( 2 min )

Drawing inspiration from gradient-based meta-learning methods with infinitely small gradient steps, we introduce Continuous-Time Meta-Learning (COMLN), a meta-learning algorithm where adaptation follows the dynamics of a gradient vector field. Specifically, representations of the inputs are meta-learned such that a task-specific linear classifier is obtained as a solution of an ordinary differential equation (ODE). Treating the learning process as an ODE offers the notable advantage that the length of the trajectory is now continuous, as opposed to a fixed and discrete number of gradient steps. As a consequence, we can optimize the amount of adaptation necessary to solve a new task using stochastic gradient descent, in addition to learning the initial conditions as is standard practice in gradient-based meta-learning. Importantly, in order to compute the exact meta-gradients required for the outer-loop updates, we devise an efficient algorithm based on forward mode differentiation, whose memory requirements do not scale with the length of the learning trajectory, thus allowing longer adaptation in constant memory. We provide analytical guarantees for the stability of COMLN, we show empirically its efficiency in terms of runtime and memory usage, and we illustrate its effectiveness on a range of few-shot image classification problems.  ( 2 min )

The problem of synthesizing stochastic explicit model predictive control policies is known to be quickly intractable even for systems of modest complexity when using classical control-theoretic methods. To address this challenge, we present a scalable alternative called stochastic parametric differentiable predictive control (SP-DPC) for unsupervised learning of neural control policies governing stochastic linear systems subject to nonlinear chance constraints. SP-DPC is formulated as a deterministic approximation to the stochastic parametric constrained optimal control problem. This formulation allows us to directly compute the policy gradients via automatic differentiation of the problem's value function, evaluated over sampled parameters and uncertainties. In particular, the computed expectation of the SP-DPC problem's value function is backpropagated through the closed-loop system rollouts parametrized by a known nominal system dynamics model and neural control policy which allows for direct model-based policy optimization. We provide theoretical probabilistic guarantees for policies learned via the SP-DPC method on closed-loop stability and chance constraints satisfaction. Furthermore, we demonstrate the computational efficiency and scalability of the proposed policy optimization algorithm in three numerical examples, including systems with a large number of states or subject to nonlinear constraints.  ( 2 min )

Existing learning-based multi-view stereo (MVS) techniques are effective in terms of completeness in reconstruction. We further improve these techniques by learning depth continuities. Our idea is to jointly estimate the depth and boundary maps. To this end, we introduce learning-based MVS strategies to improve the quality of depth maps via mixture density and depth discontinuity learning. We validate our idea and demonstrate that our strategies can be easily integrated into existing learning-based MVS pipelines where the reconstruction depends on high-quality depth map estimation. We also introduce a bimodal depth representation and a novel spatial regularization approach to the MVS networks. Extensive experiments on various datasets show that our method sets a new state of the art in terms of completeness and overall reconstruction quality. Experiments also demonstrate that the presented model and strategies have good generalization capabilities. The source code will be available soon.  ( 2 min )

We report the first-time recovery of a fresh meteorite fall using a drone and a machine learning algorithm. A fireball on the 1st April 2021 was observed over Western Australia by the Desert Fireball Network, for which a fall area was calculated for the predicted surviving mass. A search team arrived on site and surveyed 5.1 km2 area over a 4-day period. A convolutional neural network, trained on previously-recovered meteorites with fusion crusts, processed the images on our field computer after each flight. meteorite candidates identified by the algorithm were sorted by team members using two user interfaces to eliminate false positives. Surviving candidates were revisited with a smaller drone, and imaged in higher resolution, before being eliminated or finally being visited in-person. The 70 g meteorite was recovered within 50 m of the calculated fall line using, demonstrating the effectiveness of this methodology which will facilitate the efficient collection of many more observed meteorite falls.  ( 2 min )

Accurate prediction of future prices of stocks is a difficult task to perform. Even more challenging is to design an optimized portfolio of stocks with the identification of proper weights of allocation to achieve the optimized values of return and risk. We present optimized portfolios based on the seven sectors of the Indian economy. The past prices of the stocks are extracted from the web from January 1, 2016, to December 31, 2020. Optimum portfolios are designed on the selected seven sectors. An LSTM regression model is also designed for predicting future stock prices. Five months after the construction of the portfolios, i.e., on June 1, 2021, the actual and predicted returns and risks of each portfolio are computed. The predicted and the actual returns indicate the very high accuracy of the LSTM model.  ( 2 min )

Recurrent neural network (RNN) based reinforcement learning (RL) is used for learning context-dependent tasks and has also attracted attention as a method with remarkable learning performance in recent research. However, RNN-based RL has some issues that the learning procedures tend to be more computationally expensive, and training with backpropagation through time (BPTT) is unstable because of vanishing/exploding gradients problem. An approach with replay memory introducing reservoir computing has been proposed, which trains an agent without BPTT and avoids these issues. The basic idea of this approach is that observations from the environment are input to the reservoir network, and both the observation and the reservoir output are stored in the memory. This paper shows that the performance of this method improves by using a multi-layered neural network for the readout layer, which regularly consists of a single linear layer. The experimental results show that using multi-layered readout improves the learning performance of four classical control tasks that require time-series processing.  ( 2 min )

Biologically inspired spiking neural networks (SNNs) are widely used to realize ultralow-power energy consumption. However, deep SNNs are not easy to train due to the excessive firing of spiking neurons in the hidden layers. To tackle this problem, we propose a novel but simple normalization technique called postsynaptic potential normalization. This normalization removes the subtraction term from the standard normalization and uses the second raw moment instead of the variance as the division term. The spike firing can be controlled, enabling the training to proceed appropriating, by conducting this simple normalization to the postsynaptic potential. The experimental results show that SNNs with our normalization outperformed other models using other normalizations. Furthermore, through the pre-activation residual blocks, the proposed model can train with more than 100 layers without other special techniques dedicated to SNNs.  ( 2 min )

Correlation clustering is a central problem in unsupervised learning, with applications spanning community detection, duplicate detection, automated labelling and many more. In the correlation clustering problem one receives as input a set of nodes and for each node a list of co-clustering preferences, and the goal is to output a clustering that minimizes the disagreement with the specified nodes' preferences. In this paper, we introduce a simple and computationally efficient algorithm for the correlation clustering problem with provable privacy guarantees. Our approximation guarantees are stronger than those shown in prior work and are optimal up to logarithmic factors.  ( 2 min )

The volume of available data has grown dramatically in recent years in many applications. Furthermore, the age of networks that used multiple modalities separately has practically ended. Therefore, enabling bidirectional cross-modality data retrieval capable of processing has become a requirement for many domains and disciplines of research. This is especially true in the medical field, as data comes in a multitude of types, including various types of images and reports as well as molecular data. Most contemporary works apply cross attention to highlight the essential elements of an image or text in relation to the other modalities and try to match them together. However, regardless of their importance in their own modality, these approaches usually consider features of each modality equally. In this study, self-attention as an additional loss term will be proposed to enrich the internal representation provided into the cross attention module. This work suggests a novel architecture with a new loss term to help represent images and texts in the joint latent space. Experiment results on two benchmark datasets, i.e. MS-COCO and ARCH, show the effectiveness of the proposed method.  ( 2 min )

Liquid state estimation is important for robotics tasks such as pouring; however, estimating the state of transparent liquids is a challenging problem. We propose a novel segmentation pipeline that can segment transparent liquids such as water from a static, RGB image without requiring any manual annotations or heating of the liquid for training. Instead, we use a generative model that is capable of translating images of colored liquids into synthetically generated transparent liquid images, trained only on an unpaired dataset of colored and transparent liquid images. Segmentation labels of colored liquids are obtained automatically using background subtraction. Our experiments show that we are able to accurately predict a segmentation mask for transparent liquids without requiring any manual annotations. We demonstrate the utility of transparent liquid segmentation in a robotic pouring task that controls pouring by perceiving the liquid height in a transparent cup. Accompanying video and supplementary materials can be found  ( 2 min )

Weightless Neural Networks (WNNs) are a class of machine learning model which use table lookups to perform inference. This is in contrast with Deep Neural Networks (DNNs), which use multiply-accumulate operations. State-of-the-art WNN architectures have a fraction of the implementation cost of DNNs, but still lag behind them on accuracy for common image recognition tasks. Additionally, many existing WNN architectures suffer from high memory requirements. In this paper, we propose a novel WNN architecture, BTHOWeN, with key algorithmic and architectural improvements over prior work, namely counting Bloom filters, hardware-friendly hashing, and Gaussian-based nonlinear thermometer encodings to improve model accuracy and reduce area and energy consumption. BTHOWeN targets the large and growing edge computing sector by providing superior latency and energy efficiency to comparable quantized DNNs. Compared to state-of-the-art WNNs across nine classification datasets, BTHOWeN on average reduces error by more than than 40% and model size by more than 50%. We then demonstrate the viability of the BTHOWeN architecture by presenting an FPGA-based accelerator, and compare its latency and resource usage against similarly accurate quantized DNN accelerators, including Multi-Layer Perceptron (MLP) and convolutional models. The proposed BTHOWeN models consume almost 80% less energy than the MLP models, with nearly 85% reduction in latency. In our quest for efficient ML on the edge, WNNs are clearly deserving of additional attention.  ( 2 min )

We study the problem of exact completion for $m \times n$ sized matrix of rank r with the adaptive sampling method. We introduce a relation of the exact completion problem with the sparsest vector of column and row spaces (which we call sparsity-number here). Using this relation, we propose matrix completion algorithms that exactly recovers the target matrix. These algorithms are superior to previous works in two important ways. First, our algorithms exactly recover $\mu_0$-coherent column space matrices by probability at least $1-\epsilon$ using much smaller observations complexity than - $\mathcal{O}(\mu_0 rn \mathrm{log}\frac{r}{\epsilon})$ - the state of art. Specifically, many of the previous adaptive sampling methods require to observe the entire matrix when the column space is highly coherent. However, we show that our method is still able to recover this type of matrices by observing a small fraction of entries under many scenarios. Second, we propose an exact completion algorithm, which requires minimal pre-information as either row or column space is not being highly coherent. We provide an extension of these algorithms that is robust to sparse random noise. Besides, we propose an additional low-rank estimation algorithm that is robust to any small noise by adaptively studying the shape of column space. At the end of the paper, we provide experimental results that illustrate the strength of the algorithms proposed here.

In this work, we study non-parametric estimation of joint probabilities of a given set of discrete and continuous random variables from their (empirically estimated) 2D marginals, under the assumption that the joint probability could be decomposed and approximated by a mixture of product densities/mass functions. The problem of estimating the joint probability density function (PDF) using semi-parametric techniques such as Gaussian Mixture Models (GMMs) is widely studied. However such techniques yield poor results when the underlying densities are mixtures of various other families of distributions such as Laplacian or generalized Gaussian, uniform, Cauchy, etc. Further, GMMs are not the best choice to estimate joint distributions which are hybrid in nature, i.e., some random variables are discrete while others are continuous. We present a novel approach for estimating the PDF using ideas from dictionary representations in signal processing coupled with low rank tensor decompositions. To the best our knowledge, this is the first work on estimating joint PDFs employing dictionaries alongside tensor decompositions. We create a dictionary of various families of distributions by inspecting the data, and use it to approximate each decomposed factor of the product in the mixture. Our approach can naturally handle hybrid $N$-dimensional distributions. We test our approach on a variety of synthetic and real datasets to demonstrate its effectiveness in terms of better classification rates and lower error rates, when compared to state of the art estimators.

Partitioning a set of elements into a given number of groups of a priori unknown sizes is an important task in many applications. Due to hard constraints, it is a non-differentiable problem which prohibits its direct use in modern machine learning frameworks. Hence, previous works mostly fall back on suboptimal heuristics or simplified assumptions. The multivariate hypergeometric distribution offers a probabilistic formulation of how to distribute a given number of samples across multiple groups. Unfortunately, as a discrete probability distribution, it neither is differentiable. In this work, we propose a continuous relaxation for the multivariate non-central hypergeometric distribution. We introduce an efficient and numerically stable sampling procedure. This enables reparameterized gradients for the hypergeometric distribution and its integration into automatic differentiation frameworks. We highlight the applicability and usability of the proposed formulation on two different common machine learning tasks.

We present Bayesian Spillover Graphs (BSG), a novel method for learning temporal relationships, identifying critical nodes, and quantifying uncertainty for multi-horizon spillover effects in a dynamic system. BSG leverages both an interpretable framework via forecast error variance decompositions (FEVD) and comprehensive uncertainty quantification via Bayesian time series models to contextualize temporal relationships in terms of systemic risk and prediction variability. Forecast horizon hyperparameter $h$ allows for learning both short-term and equilibrium state network behaviors. Experiments for identifying source and sink nodes under various graph and error specifications show significant performance gains against state-of-the-art Bayesian Networks and deep-learning baselines. Applications to real-world systems also showcase BSG as an exploratory analysis tool for uncovering indirect spillovers and quantifying risk.

Bayesian optimization (BO) is a powerful approach to sample-efficient optimization of black-box objective functions. However, the application of BO to areas such as recommendation systems often requires taking the interpretability and simplicity of the configurations into consideration, a setting that has not been previously studied in the BO literature. To make BO applicable in this setting, we present several regularization-based approaches that allow us to discover sparse and more interpretable configurations. We propose a novel differentiable relaxation based on homotopy continuation that makes it possible to target sparsity by working directly with $L_0$ regularization. We identify failure modes for regularized BO and develop a hyperparameter-free method, sparsity exploring Bayesian optimization (SEBO) that seeks to simultaneously maximize a target objective and sparsity. SEBO and methods based on fixed regularization are evaluated on synthetic and real-world problems, and we show that we are able to efficiently optimize for sparsity.

Reinforcement learning with sparse rewards is still an open challenge. Classic methods rely on getting feedback via extrinsic rewards to train the agent, and in situations where this occurs very rarely the agent learns slowly or cannot learn at all. Similarly, if the agent receives also rewards that create suboptimal modes of the objective function, it will likely prematurely stop exploring. More recent methods add auxiliary intrinsic rewards to encourage exploration. However, auxiliary rewards lead to a non-stationary target for the Q-function. In this paper, we present a novel approach that (1) plans exploration actions far into the future by using a long-term visitation count, and (2) decouples exploration and exploitation by learning a separate function assessing the exploration value of the actions. Contrary to existing methods which use models of reward and dynamics, our approach is off-policy and model-free. We further propose new tabular environments for benchmarking exploration in reinforcement learning. Empirical results on classic and novel benchmarks show that the proposed approach outperforms existing methods in environments with sparse rewards, especially in the presence of rewards that create suboptimal modes of the objective function. Results also suggest that our approach scales gracefully with the size of the environment. Source code is available at https://github.com/sparisi/visit-value-explore

Data augmentation is a cornerstone of the machine learning pipeline, yet its theoretical underpinnings remain unclear. Is it merely a way to artificially augment the data set size? Or is it about encouraging the model to satisfy certain invariance? In this work we consider another angle, and we study the effect of data augmentation on the dynamic of the learning process. We find that data augmentation can alter the relative importance of various features, effectively making certain informative but hard to learn features more likely to be captured in the learning process. Importantly, we show that this effect is more pronounced for non-linear models, such as neural networks. Our main contribution is a detailed analysis of data augmentation on the learning dynamic for a two layer convolutional neural network in the recently proposed multi-view model by Allen-Zhu and Li [2020]. We complement this analysis with further experimental evidence that data augmentation can be viewed as a form of feature manipulation.

A topic model is often formulated as a generative model that explains how each word of a document is generated given a set of topics and document-specific topic proportions. It is focused on capturing the word co-occurrences in a document and hence often suffers from poor performance in analyzing short documents. In addition, its parameter estimation often relies on approximate posterior inference that is either not scalable or suffers from large approximation error. This paper introduces a new topic-modeling framework where each document is viewed as a set of word embedding vectors and each topic is modeled as an embedding vector in the same embedding space. Embedding the words and topics in the same vector space, we define a method to measure the semantic difference between the embedding vectors of the words of a document and these of the topics, and optimize the topic embeddings to minimize the expected difference over all documents. Experiments on text analysis demonstrate that the proposed method, which is amenable to mini-batch stochastic gradient descent based optimization and hence scalable to big corpora, provides competitive performance in discovering more coherent and diverse topics and extracting better document representations.

Estimating conditional average treatment effects (CATE) is challenging, especially when treatment information is missing. Although this is a widespread problem in practice, CATE estimation with missing treatments has received little attention. In this paper, we analyze CATE estimation in the setting with missing treatments where, thus, unique challenges arise in the form of covariate shifts. We identify two covariate shifts in our setting: (i) a covariate shift between the treated and control population; and (ii) a covariate shift between the observed and missing treatment population. We first theoretically show the effect of these covariate shifts by deriving a generalization bound for estimating CATE in our setting with missing treatments. Then, motivated by our bound, we develop the missing treatment representation network (MTRNet), a novel CATE estimation algorithm that learns a balanced representation of covariates using domain adaptation. By using balanced representations, MTRNet provides more reliable CATE estimates in the covariate domains where the data are not fully observed. In various experiments with semi-synthetic and real-world data, we show that our algorithm improves over the state-of-the-art by a substantial margin.

Early Time-Series Classification (ETSC) is the task of predicting the class of incoming time-series by observing as few measurements as possible. Such methods can be employed to obtain classification forecasts in many time-critical applications. However, available techniques are not equally suitable for every problem, since differentiations in the data characteristics can impact algorithm performance in terms of earliness, accuracy, F1-score, and training time. We evaluate six existing ETSC algorithms on publicly available data, as well as on two newly introduced datasets originating from the life sciences and maritime domains. Our goal is to provide a framework for the evaluation and comparison of ETSC algorithms and to obtain intuition on how such approaches perform on real-life applications. The presented framework may also serve as a benchmark for new related techniques.

We consider reinforcement learning (RL) methods in offline nonstationary environments. Many existing RL algorithms in the literature rely on the stationarity assumption that requires the system transition and the reward function to be constant over time. However, the stationarity assumption is restrictive in practice and is likely to be violated in a number of applications, including traffic signal control, robotics and mobile health. In this paper, we develop a consistent procedure to test the nonstationarity of the optimal policy based on pre-collected historical data, without additional online data collection. Based on the proposed test, we further develop a sequential change point detection method that can be naturally coupled with existing state-of-the-art RL methods for policy optimisation in nonstationary environments. The usefulness of our method is illustrated by theoretical results, simulation studies, and a real data example from the 2018 Intern Health Study. A Python implementation of the proposed procedure is available at https://github.com/limengbinggz/CUSUM-RL

Reconstructing 3D objects from 2D images is both challenging for our brains and machine learning algorithms. To support this spatial reasoning task, contextual information about the overall shape of an object is critical. However, such information is not captured by established loss terms (e.g. Dice loss). We propose to complement geometrical shape information by including multi-scale topological features, such as connected components, cycles, and voids, in the reconstruction loss. Our method calculates topological features from 3D volumetric data based on cubical complexes and uses an optimal transport distance to guide the reconstruction process. This topology-aware loss is fully differentiable, computationally efficient, and can be added to any neural network. We demonstrate the utility of our loss by incorporating it into SHAPR, a model for predicting the 3D cell shape of individual cells based on 2D microscopy images. Using a hybrid loss that leverages both geometrical and topological information of single objects to assess their shape, we find that topological information substantially improves the quality of reconstructions, thus highlighting its ability to extract more relevant features from image datasets.

We consider stochastic approximation for the least squares regression problem in the non-strongly convex setting. We present the first practical algorithm that achieves the optimal prediction error rates in terms of dependence on the noise of the problem, as $O(d/t)$ while accelerating the forgetting of the initial conditions to $O(d/t^2)$. Our new algorithm is based on a simple modification of the accelerated gradient descent. We provide convergence results for both the averaged and the last iterate of the algorithm. In order to describe the tightness of these new bounds, we present a matching lower bound in the noiseless setting and thus show the optimality of our algorithm.

We consider the problem of discovering causal relations from independence constraints selection bias in addition to confounding is present. While the seminal FCI algorithm is sound and complete in this setup, no criterion for the causal interpretation of its output under selection bias is presently known. We focus instead on local patterns of independence relations, where we find no sound method for only three variable that can include background knowledge. Y-Structure patterns are shown to be sound in predicting causal relations from data under selection bias, where cycles may be present. We introduce a finite-sample scoring rule for Y-Structures that is shown to successfully predict causal relations in simulation experiments that include selection mechanisms. On real-world microarray data, we show that a Y-Structure variant performs well across different datasets, potentially circumventing spurious correlations due to selection bias.

Bayesian optimization is a technique for optimizing black-box target functions. At the core of Bayesian optimization is a surrogate model that predicts the output of the target function at previously unseen inputs to facilitate the selection of promising input values. Gaussian processes (GPs) are commonly used as surrogate models but are known to scale poorly with the number of observations. We adapt the Vecchia approximation, a popular GP approximation from spatial statistics, to enable scalable high-dimensional Bayesian optimization. We develop several improvements and extensions, including training warped GPs using mini-batch gradient descent, approximate neighbor search, and selecting multiple input values in parallel. We focus on the use of our warped Vecchia GP in trust-region Bayesian optimization via Thompson sampling. On several test functions and on two reinforcement-learning problems, our methods compared favorably to the state of the art.

With the widespread adoption of deep learning, reinforcement learning (RL) has experienced a dramatic increase in popularity, scaling to previously intractable problems, such as playing complex games from pixel observations, sustaining conversations with humans, and controlling robotic agents. However, there is still a wide range of domains inaccessible to RL due to the high cost and danger of interacting with the environment. Offline RL is a paradigm that learns exclusively from static datasets of previously collected interactions, making it feasible to extract policies from large and diverse training datasets. Effective offline RL algorithms have a much wider range of applications than online RL, being particularly appealing for real-world applications such as education, healthcare, and robotics. In this work, we propose a unifying taxonomy to classify offline RL methods. Furthermore, we provide a comprehensive review of the latest algorithmic breakthroughs in the field, and a review of existing benchmarks' properties and shortcomings. Finally, we provide our perspective on open problems and propose future research directions for this rapidly growing field.

For flexible yet safe imitation learning (IL), we propose a modular approach that uses a generative imitator policy with a safety layer, has an overall explicit density/gradient, can therefore be end-to-end trained using generative adversarial IL (GAIL), and comes with theoretical worst-case safety/robustness guarantees. The safety layer's exact density comes from using a countable non-injective gluing of piecewise differentiable injections and the change-of-variables formula. The safe set (into which the safety layer maps) is inferred by sampling actions and their potential future fail-safe fallback continuations, together with Lipschitz continuity and convexity arguments. We also provide theoretical bounds showing the advantage of using the safety layer already during training (imitation error linear in the horizon) compared to only using it at test time (quadratic error). In an experiment on challenging real-world driver interaction data, we empirically demonstrate tractability, safety and imitation performance of our approach.

This study proposes a data condensation method for multivariate kernel density estimation by genetic algorithm. First, our proposed algorithm generates multiple subsamples of a given size with replacement from the original sample. The subsamples and their constituting data points are regarded as $\it{chromosome}$ and $\it{gene}$, respectively, in the terminology of genetic algorithm. Second, each pair of subsamples breeds two new subsamples, where each data point faces either $\it{crossover}$, $\it{mutation}$, or $\it{reproduction}$ with a certain probability. The dominant subsamples in terms of fitness values are inherited by the next generation. This process is repeated generation by generation and brings the sparse representation of kernel density estimator in its completion. We confirmed from simulation studies that the resulting estimator can perform better than other well-known density estimators.

This thesis rigorously studies fundamental reinforcement learning (RL) methods in modern practical considerations, including robust RL, distributional RL, and offline RL with neural function approximation. The thesis first prepares the readers with an overall overview of RL and key technical background in statistics and optimization. In each of the settings, the thesis motivates the problems to be studied, reviews the current literature, provides computationally efficient algorithms with provable efficiency guarantees, and concludes with future research directions. The thesis makes fundamental contributions to the three settings above, both algorithmically, theoretically, and empirically, while staying relevant to practical considerations.

The area under the ROC curve (AUC) is one of the most widely used performance measures for classification models in machine learning. However, it summarizes the true positive rates (TPRs) over all false positive rates (FPRs) in the ROC space, which may include the FPRs with no practical relevance in some applications. The partial AUC, as a generalization of the AUC, summarizes only the TPRs over a specific range of the FPRs and is thus a more suitable performance measure in many real-world situations. Although partial AUC optimization in a range of FPRs had been studied, existing algorithms are not scalable to big data and not applicable to deep learning. To address this challenge, we cast the problem into a non-smooth difference-of-convex (DC) program for any smooth predictive functions (e.g., deep neural networks), which allowed us to develop an efficient approximated gradient descent method based on the Moreau envelope smoothing technique, inspired by recent advances in non-smooth DC optimization. To increase the efficiency of large data processing, we used an efficient stochastic block coordinate update in our algorithm. Our proposed algorithm can also be used to minimize the sum of ranked range loss, which also lacks efficient solvers. We established a complexity of $\tilde O(1/\epsilon^6)$ for finding a nearly $\epsilon$-critical solution. Finally, we numerically demonstrated the effectiveness of our proposed algorithms for both partial AUC maximization and sum of ranked range loss minimization.

Survival analysis concerns the study of timeline data where the event of interest may remain unobserved (i.e., censored). Studies commonly record more than one type of event, but conventional survival techniques focus on a single event type. We set out to integrate both multiple independently censored time-to-event variables as well as missing observations. An energy-based approach is taken with a bi-partite structure between latent and visible states, commonly known as harmoniums (or restricted Boltzmann machines). The present harmonium is shown, both theoretically and experimentally, to capture non-linear patterns between distinct time recordings. We illustrate on real world data that, for a single time-to-event variable, our model is on par with established methods. In addition, we demonstrate that discriminative predictions improve by leveraging an extra time-to-event variable. In conclusion, multiple time-to-event variables can be successfully captured within the harmonium paradigm.

The prediction accuracy of machine learning methods is steadily increasing, but the calibration of their uncertainty predictions poses a significant challenge. Numerous works focus on obtaining well-calibrated predictive models, but less is known about reliably assessing model calibration. This limits our ability to know when algorithms for improving calibration have a real effect, and when their improvements are merely artifacts due to random noise in finite datasets. In this work, we consider detecting mis-calibration of predictive models using a finite validation dataset as a hypothesis testing problem. The null hypothesis is that the predictive model is calibrated, while the alternative hypothesis is that the deviation from calibration is sufficiently large. We find that detecting mis-calibration is only possible when the conditional probabilities of the classes are sufficiently smooth functions of the predictions. When the conditional class probabilities are H\"older continuous, we propose T-Cal, a minimax optimal test for calibration based on a debiased plug-in estimator of the $\ell_2$-Expected Calibration Error (ECE). We further propose Adaptive T-Cal, a version that is adaptive to unknown smoothness. We verify our theoretical findings with a broad range of experiments, including with several popular deep neural net architectures and several standard post-hoc calibration methods. T-Cal is a practical general-purpose tool, which -- combined with classical tests for discrete-valued predictors -- can be used to test the calibration of virtually any probabilistic classification method.

Building sample-efficient agents that generalize out-of-distribution (OOD) in real-world settings remains a fundamental unsolved problem on the path towards achieving higher-level cognition. One particularly promising approach is to begin with low-dimensional, pretrained representations of our world, which should facilitate efficient downstream learning and generalization. By training 240 representations and over 10,000 reinforcement learning (RL) policies on a simulated robotic setup, we evaluate to what extent different properties of pretrained VAE-based representations affect the OOD generalization of downstream agents. We observe that many agents are surprisingly robust to realistic distribution shifts, including the challenging sim-to-real case. In addition, we find that the generalization performance of a simple downstream proxy task reliably predicts the generalization performance of our RL agents under a wide range of OOD settings. Such proxy tasks can thus be used to select pretrained representations that will lead to agents that generalize.

We propose algorithms for approximate filtering and smoothing in high-dimensional Factorial hidden Markov models. The approximation involves discarding, in a principled way, likelihood factors according to a notion of locality in a factor graph associated with the emission distribution. This allows the exponential-in-dimension cost of exact filtering and smoothing to be avoided. We prove that the approximation accuracy, measured in a local total variation norm, is "dimension-free" in the sense that as the overall dimension of the model increases the error bounds we derive do not necessarily degrade. A key step in the analysis is to quantify the error introduced by localizing the likelihood function in a Bayes' rule update. The factorial structure of the likelihood function which we exploit arises naturally when data have known spatial or network structure. We demonstrate the new algorithms on synthetic examples and a London Underground passenger flow problem, where the factor graph is effectively given by the train network.

Randomized Hadamard Transforms (RHTs) have emerged as a computationally efficient alternative to the use of dense unstructured random matrices across a range of domains in computer science and machine learning. For several applications such as dimensionality reduction and compressed sensing, the theoretical guarantees for methods based on RHTs are comparable to approaches using dense random matrices with i.i.d.\ entries. However, several such applications are in the low-dimensional regime where the number of rows sampled from the matrix is rather small. Prior arguments are not applicable to the high-dimensional regime often found in machine learning applications like kernel approximation. Given an ensemble of RHTs with Gaussian diagonals, $\{M^i\}_{i = 1}^m$, and any $1$-Lipschitz function, $f: \mathbb{R} \to \mathbb{R}$, we prove that the average of $f$ over the entries of $\{M^i v\}_{i = 1}^m$ converges to its expectation uniformly over $\| v \| \leq 1$ at a rate comparable to that obtained from using truly Gaussian matrices. We use our inequality to then derive improved guarantees for two applications in the high-dimensional regime: 1) kernel approximation and 2) distance estimation. For kernel approximation, we prove the first \emph{uniform} approximation guarantees for random features constructed through RHTs lending theoretical justification to their empirical success while for distance estimation, our convergence result implies data structures with improved runtime guarantees over previous work by the authors. We believe our general inequality is likely to find use in other applications.

Large-scale perturbations in the microbiome constitution are strongly correlated, whether as a driver or a consequence, with the health and functioning of human physiology. However, understanding the difference in the microbiome profiles of healthy and ill individuals can be complicated due to the large number of complex interactions among microbes. We propose to model these interactions as a time-evolving graph whose nodes are microbes and edges are interactions among them. Motivated by the need to analyse such complex interactions, we develop a method that learns a low-dimensional representation of the time-evolving graph and maintains the dynamics occurring in the high-dimensional space. Through our experiments, we show that we can extract graph features such as clusters of nodes or edges that have the highest impact on the model to learn the low-dimensional representation. This information can be crucial to identify microbes and interactions among them that are strongly correlated with clinical diseases. We conduct our experiments on both synthetic and real-world microbiome datasets.

Linear structural equation models represent direct causal effects as directed edges and confounding factors as bidirected edges. An open problem is to identify the causal parameters from correlations between the nodes. We investigate models, whose directed component forms a tree, and show that there, besides classical instrumental variables, missing cycles of bidirected edges can be used to identify the model. They can yield systems of quadratic equations that we explicitly solve to obtain one or two solutions for the causal parameters of adjacent directed edges. We show how multiple missing cycles can be combined to obtain a unique solution. This results in an algorithm that can identify instances that previously required approaches based on Gr\"obner bases, which have doubly-exponential time complexity in the number of structural parameters.  ( 2 min )

Beyond accuracy, quality measures are gaining importance in modern recommender systems, with reliability being one of the most important indicators in the context of collaborative filtering. This paper proposes Bernoulli Matrix Factorization (BeMF), which is a matrix factorization model, to provide both prediction values and reliability values. BeMF is a very innovative approach from several perspectives: a) it acts on model-based collaborative filtering rather than on memory-based filtering, b) it does not use external methods or extended architectures, such as existing solutions, to provide reliability, c) it is based on a classification-based model instead of traditional regression-based models, and d) matrix factorization formalism is supported by the Bernoulli distribution to exploit the binary nature of the designed classification model. The experimental results show that the more reliable a prediction is, the less liable it is to be wrong: recommendation quality improves after the most reliable predictions are selected. State-of-the-art quality measures for reliability have been tested, which shows that BeMF outperforms previous baseline methods and models.  ( 2 min )

In the recent past a certain property of neural training trajectories in weight-space had been isolated, that of "local elasticity" ($\srel$) - which attempts to quantify the propagation of influence of a sampled data point on the prediction at another data point. In this work, we embark on a comprehensive study of local elasticity. Firstly, specific to the classification setting, we suggest a new definition of the original idea of $\srel$. Via experiments on state-of-the-art neural networks training on SVHN, CIFAR-10 and CIFAR-100 we demonstrate how our new $\srel$ detects the property of the weight updates preferring to make changes in predictions within the same class as of the sampled data. Next, we demonstrate via examples of neural regression that the original $\srel$ reveals a $2-$phase behavior: that their training proceeds via an initial elastic phase when $\srel$ changes rapidly and an eventual inelastic phase when $\srel$ remains large. Lastly, we give multiple examples of learning via gradient flows for which one can get a closed-form expression of the original $\srel$ function. By studying the plots of these derived formulas we give theoretical demonstrations of some of the experimentally detected properties of $\srel$ in the regression setting.  ( 2 min )

Motivation: A branching processes model yields an unevenly stochastically distributed dataset that consists of sparse and dense regions. This work addresses the problem of precisely evaluating parameters for such a model. Applying a branching processes model to an area such as cancer cell evolution faces a number of obstacles, including high dimensionality and the rare appearance of a result of interest. We take on the ambitious task of obtaining the coefficients of a model that reflects the relationship of driver gene mutations and cancer hallmarks on the basis of personal data regarding variant allele frequencies. Results: An approximate Bayesian computation method based on Isolation Kernel is developed. The method involves the transformation of row data to a Hilbert space (mapping) and the measurement of the similarity between simulated points and maxima weighted Isolation Kernel mapping related to the observation point. We also design a heuristic algorithm for parameter estimation that requires no calculation and is dimension independent. The advantages of the proposed machine learning method are illustrated using multidimensional test data as well as a specific example focused on cancer cell evolution.  ( 2 min )

Deep learning on graphs has attracted tremendous attention from the graph learning community in recent years. It has been widely adopted in various real-world applications from diverse domains, such as social and information networks, biological graphs, and molecular graphs. In this paper, we present CogDL--an extensive toolkit for deep learning on graphs--that allows researchers and developers to easily conduct experiments and build applications. In CogDL, we propose a unified design for the training loop of graph neural network (GNN) models, making it unique among existing graph learning libraries. By utilizing this unified trainer, we can optimize the GNN training loop with several training techniques such as distributed training and mixed precision training. Moreover, we develop efficient sparse operators for CogDL, enabling it to become the most competitive graph library for efficiency. Additionally, another important CogDL feature is its focus on ease of use with the goal of facilitating open, robust, and reproducible graph learning research. We leverage CogDL to report and maintain benchmark results on the fundamental graph tasks such as node classification and graph classification, which can be reproduced and directly used by the community. Finally, we demonstrate the effectiveness and efficiency of CogDL for real-world applications in AMiner--a large-scale academic mining and search system. The CogDL toolkit is available at: https://github.com/thudm/cogdl.  ( 2 min )

Recently (Elkin, Filtser, Neiman 2017) introduced the concept of a {\it terminal embedding} from one metric space $(X,d_X)$ to another $(Y,d_Y)$ with a set of designated terminals $T\subset X$. Such an embedding $f$ is said to have distortion $\rho\ge 1$ if $\rho$ is the smallest value such that there exists a constant $C>0$ satisfying \begin{equation*} \forall x\in T\ \forall q\in X,\ C d_X(x, q) \le d_Y(f(x), f(q)) \le C \rho d_X(x, q) . \end{equation*} In the case that $X,Y$ are both Euclidean metrics with $Y$ being $m$-dimensional, recently (Narayanan, Nelson 2019), following work of (Mahabadi, Makarychev, Makarychev, Razenshteyn 2018), showed that distortion $1+\epsilon$ is achievable via such a terminal embedding with $m = O(\epsilon^{-2}\log n)$ for $n := |T|$. This generalizes the Johnson-Lindenstrauss lemma, which only preserves distances within $T$ and not to $T$ from the rest of space. The downside is that evaluating the embedding on some $q\in \mathbb{R}^d$ required solving a semidefinite program with $\Theta(n)$ constraints in $m$ variables and thus required some superlinear $\mathrm{poly}(n)$ runtime. Our main contribution in this work is to give a new data structure for computing terminal embeddings. We show how to pre-process $T$ to obtain an almost linear-space data structure that supports computing the terminal embedding image of any $q\in\mathbb{R}^d$ in sublinear time $O^* (n^{1-\Theta(\epsilon^2)} + d)$. To accomplish this, we leverage tools developed in the context of approximate nearest neighbor search.  ( 2 min )

Score-based generative models (SGMs) have demonstrated remarkable synthesis quality. SGMs rely on a diffusion process that gradually perturbs the data towards a tractable distribution, while the generative model learns to denoise. The complexity of this denoising task is, apart from the data distribution itself, uniquely determined by the diffusion process. We argue that current SGMs employ overly simplistic diffusions, leading to unnecessarily complex denoising processes, which limit generative modeling performance. Based on connections to statistical mechanics, we propose a novel critically-damped Langevin diffusion (CLD) and show that CLD-based SGMs achieve superior performance. CLD can be interpreted as running a joint diffusion in an extended space, where the auxiliary variables can be considered "velocities" that are coupled to the data variables as in Hamiltonian dynamics. We derive a novel score matching objective for CLD and show that the model only needs to learn the score function of the conditional distribution of the velocity given data, an easier task than learning scores of the data directly. We also derive a new sampling scheme for efficient synthesis from CLD-based diffusion models. We find that CLD outperforms previous SGMs in synthesis quality for similar network architectures and sampling compute budgets. We show that our novel sampler for CLD significantly outperforms solvers such as Euler--Maruyama. Our framework provides new insights into score-based denoising diffusion models and can be readily used for high-resolution image synthesis. Project page and code: https://nv-tlabs.github.io/CLD-SGM.  ( 2 min )

Neural ordinary differential equations (ODEs) have been attracting increasing attention in various research domains recently. There have been some works studying optimization issues and approximation capabilities of neural ODEs, but their robustness is still yet unclear. In this work, we fill this important gap by exploring robustness properties of neural ODEs both empirically and theoretically. We first present an empirical study on the robustness of the neural ODE-based networks (ODENets) by exposing them to inputs with various types of perturbations and subsequently investigating the changes of the corresponding outputs. In contrast to conventional convolutional neural networks (CNNs), we find that the ODENets are more robust against both random Gaussian perturbations and adversarial attack examples. We then provide an insightful understanding of this phenomenon by exploiting a certain desirable property of the flow of a continuous-time ODE, namely that integral curves are non-intersecting. Our work suggests that, due to their intrinsic robustness, it is promising to use neural ODEs as a basic block for building robust deep network models. To further enhance the robustness of vanilla neural ODEs, we propose the time-invariant steady neural ODE (TisODE), which regularizes the flow on perturbed data via the time-invariant property and the imposition of a steady-state constraint. We show that the TisODE method outperforms vanilla neural ODEs and also can work in conjunction with other state-of-the-art architectural methods to build more robust deep networks.  ( 2 min )

We study the Unadjusted Langevin Algorithm (ULA) for sampling from a probability distribution $\nu = e^{-f}$ on $\mathbb{R}^n$. We prove a convergence guarantee in Kullback-Leibler (KL) divergence assuming $\nu$ satisfies a log-Sobolev inequality and the Hessian of $f$ is bounded. Notably, we do not assume convexity or bounds on higher derivatives. We also prove convergence guarantees in R\'enyi divergence of order $q > 1$ assuming the limit of ULA satisfies either the log-Sobolev or Poincar\'e inequality. We also prove a bound on the bias of the limiting distribution of ULA assuming third-order smoothness of $f$, without requiring isoperimetry.  ( 2 min )

Neural Architecture Search (NAS) is a popular method for automatically designing optimized architectures for high-performance deep learning. In this approach, it is common to use bilevel optimization where one optimizes the model weights over the training data (inner problem) and various hyperparameters such as the configuration of the architecture over the validation data (outer problem). This paper explores the statistical aspects of such problems with train-validation splits. In practice, the inner problem is often overparameterized and can easily achieve zero loss. Thus, a-priori it seems impossible to distinguish the right hyperparameters based on training loss alone which motivates a better understanding of the role of train-validation split. To this aim this work establishes the following results. (1) We show that refined properties of the validation loss such as risk and hyper-gradients are indicative of those of the true test loss. This reveals that the outer problem helps select the most generalizable model and prevent overfitting with a near-minimal validation sample size. This is established for continuous search spaces which are relevant for differentiable schemes. Extensions to transfer learning are developed in terms of the mismatch between training & validation distributions. (2) We establish generalization bounds for NAS problems with an emphasis on an activation search problem. When optimized with gradient-descent, we show that the train-validation procedure returns the best (model, architecture) pair even if all architectures can perfectly fit the training data to achieve zero error. (3) Finally, we highlight connections between NAS, multiple kernel learning, and low-rank matrix learning. The latter leads to novel insights where the solution of the outer problem can be accurately learned via efficient spectral methods to achieve near-minimal risk.  ( 2 min )

Machine learning methods have been shown to give accurate predictions in high dimensions provided that sufficient training data are available. Yet, many interesting questions in science and engineering involve situations where initially no data are available and the principal aim is to gather insights from a known model. Here we consider this problem in the context of systems whose evolution can be described by partial differential equations (PDEs). We use deep learning to solve these equations by generating data on-the-fly when and where they are needed, without prior information about the solution. The proposed Neural Galerkin schemes derive nonlinear dynamical equations for the network weights by minimization of the residual of the time derivative of the solution, and solve these equations using standard integrators for initial value problems. The sequential learning of the weights over time allows for adaptive collection of new input data for residual estimation. This step uses importance sampling informed by the current state of the solution, in contrast with other machine learning methods for PDEs that optimize the network parameters globally in time. This active form of data acquisition is essential to enable the approximation power of the neural networks and to break the curse of dimensionality faced by non-adaptative learning strategies. The applicability of the method is illustrated on several numerical examples involving high-dimensional PDEs, including advection equations with many variables, as well as Fokker-Planck equations for systems with several interacting particles.  ( 2 min )

The literature on "benign overfitting" in overparameterized models has been mostly restricted to regression or binary classification; however, modern machine learning operates in the multiclass setting. Motivated by this discrepancy, we study benign overfitting in multiclass linear classification. Specifically, we consider the following training algorithms on separable data: (i) empirical risk minimization (ERM) with cross-entropy loss, which converges to the multiclass support vector machine (SVM) solution; (ii) ERM with least-squares loss, which converges to the min-norm interpolating (MNI) solution; and, (iii) the one-vs-all SVM classifier. First, we provide a simple sufficient deterministic condition under which all three algorithms lead to classifiers that interpolate the training data and have equal accuracy. When the data is generated from Gaussian mixtures or a multinomial logistic model, this condition holds under high enough effective overparameterization. We also show that this sufficient condition is satisfied under "neural collapse", a phenomenon that is observed in training deep neural networks. Second, we derive novel bounds on the accuracy of the MNI classifier, thereby showing that all three training algorithms lead to benign overfitting under sufficient overparameterization. Ultimately, our analysis shows that good generalization is possible for SVM solutions beyond the realm in which typical margin-based bounds apply.  ( 2 min )

In recent years, Transformers have overcome classic Convolutional Neural Networks (CNNs) and have rapidly become the state-of-the-art in many vision tasks. This power has always been explained as a consequence of the multi-head self-attention (MSA), and, in particular, its weak inductive bias and ability to capture long-range dependencies. But due to this over-flexibility, Vision Transformers (ViTs) have a tendency to (apparently) overfit training datasets, consequently leading to poor predictive performances in small data regimes. However, most of the concepts related to Transformer have been inferred empirically, and until now there has been no in-depth study of their inherent behavior. In this paper, the NAVER AI Lab and Yonsei University filled this lack and solve several doubts by investigating Vision Transformer in relation to three fundamental questions: 1) What properties of MSAs do we need to better optimize NNs? 2) Do MSAs behave like Convs (convolutional layers)? If not, how are they different? 3) How can MSAs be harmonized with Convs (convolutional layers)? Continue Reading My Summary of the paper Paper: https://arxiv.org/pdf/2202.06709v1.pdf Github: https://github.com/xxxnell/how-do-vits-work https://preview.redd.it/6jlvpwx9egl81.png?width=555&format=png&auto=webp&s=7cc3b6f846ad12c5e6c5cc41eaae9bef1442dcf7 submitted by /u/No_Coffee_4638 [link] [comments]  ( 1 min )

https://www.youtube.com/watch?v=uMR1iR65Zqg https://www.youtube.com/watch?v=GLiFW4MlwHU https://www.youtube.com/watch?v=3JwkaUStups submitted by /u/Recent_Coffee_2551 [link] [comments]

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Please dm to hear more submitted by /u/RemoteNo9370 [link] [comments]

A Princeton University research team proposed Data Multiplexing for Neural Networks in their new study DataMUX: Data Multiplexing for Neural Networks (DataMUX). This new method allows neural networks to analyze several inputs simultaneously and make correct predictions, improving model throughput while requiring minimal additional memory. Because of its unique capacity to represent complicated real-life issues, deep neural networks (DNNs) are a famous architecture in the machine learning field. Recent research suggests that such networks are grossly overparameterized, necessitating significant and possibly wasteful increases in model size and compute burden to construct modern DNNs. Continue Reading This Summary on This Research Here Paper: https://arxiv.org/pdf/2202.09318.pdf Github: https://github.com/princeton-nlp/datamux https://preview.redd.it/g37jkm5auel81.png?width=1288&format=png&auto=webp&s=5cba9ad2c080c70e6c46186fe041f7326ae4ccb5 submitted by /u/No_Coffee_4638 [link] [comments]  ( 1 min )

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Although lengthier texts contain a significant quantity of natural language in the wild, NLP benchmarks have always primarily focused on short texts, such as sentences and paragraphs. Short text classification has consistently been a driving force behind standard benchmarks like GLUE, WMT, and SQuAD. A considerable amount of natural language is produced in the context of lengthier discourses, such as books, essays, and meeting transcripts, as is widely known. As a result, model structures are required to address the computing constraints associated with processing such long sequences. Researchers from Tel-Aviv University, Meta AI, IBM Research, and Allen Institute for AI (AI2) introduce Standardized CompaRison Over Long Language Sequences (SCROLLS) to tackle this issue. SCROLLS is a collection of summarization, question-answering, and natural language inference tasks that span a variety of topics, including literature, science, commerce, and entertainment. Continue Reading My Full Summary On This Paper Paper: https://arxiv.org/pdf/2201.03533.pdf https://preview.redd.it/8e5mbc3slal81.png?width=1920&format=png&auto=webp&s=e2a762237b0c6dd2fc8da561c091e64d0ebaf916 submitted by /u/No_Coffee_4638 [link] [comments]  ( 1 min )

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This is part 1 in a multi-part series on the value-realizing, collaborative power of decisions. My mom used to say, “If it was a snake, you’d be dead”. And the reason that I say that, is that organizations are seeking a collaborative value driver that can 1) align the organization around the economic power of… Read More »Decisions Part 1: Creating an AI-driven Decision Factory The post Decisions Part 1: Creating an AI-driven Decision Factory appeared first on Data Science Central.  ( 5 min )

Is it possible to take a neural network with for example 2 inputs and 1 output and rearrange it so that the inputs are O1 and I1 and I2 becomes the output. submitted by /u/Soggy-Statistician88 [link] [comments]  ( 1 min )

As the title says... has anyone used Spiking Neural Networks (SNNs) for image processing? More specifically Medical image processing? There seems to be very little on SNNs being used in image processing. I would appreciate input from anyone who has experience with this or if anyone knows of any good Github repositories for this. submitted by /u/bangwhosnext [link] [comments]  ( 1 min )

A Princeton University research team proposed Data Multiplexing for Neural Networks in their new study DataMUX: Data Multiplexing for Neural Networks (DataMUX). This new method allows neural networks to analyze several inputs simultaneously and make correct predictions, improving model throughput while requiring minimal additional memory. Because of its unique capacity to represent complicated real-life issues, deep neural networks (DNNs) are a famous architecture in the machine learning field. Recent research suggests that such networks are grossly overparameterized, necessitating significant and possibly wasteful increases in model size and compute burden to construct modern DNNs. Continue Reading This Summary on This Research Here Paper: https://arxiv.org/pdf/2202.09318.pdf Github: https://github.com/princeton-nlp/datamux https://preview.redd.it/i0ynmrn9uel81.png?width=1288&format=png&auto=webp&s=13cda8ebdb6a0e25b573753417376271cd43ea5f submitted by /u/No_Coffee_4638 [link] [comments]

Besides FANN is there a C library for Linux? submitted by /u/mikeegg1 [link] [comments]

Good day, How does RL learn the differences between 2 patient subgroups and come up with an optimal policy for each: E.g Patients with chest congestion due to covid and one without covid? submitted by /u/Thin-Ad9581 [link] [comments]  ( 1 min )

Hi, I used stable-baselines3(TD3, SAC,DDPG, PPO) even DrQ(author's repository) to solve DMC finger turn_easy task. But I disappointed almost all trained fingers are almost motionless. they usually got 1000 or 0 points in one episode even though after 100k frames and running mean reward was 200~300. But DrQ paper shows they can get 1000 rewards at almost 100k frames. In my point of view, It happened by the fact that the episode is not finished even if the agent does not receive good reward until 1000 steps. Can you tell me some implementation that can solve finger turn_easy? Very Thanks. submitted by /u/Spiritual_Fig3632 [link] [comments]  ( 1 min )

Hello everyone! I am new in this community and extremely glad to find it :) I have been looking into solution methods for problems I am working in the area of Operations Research, in particular, on-demand delivery systems(eg. uber eats), I want to make use of the knowledge of previous deliveries to increase the efficiency of the system, but the methods that are used to OR problems generally i.e Evolutionary Algorithms don't seem to do that, of course, one can incorporate some methods inside the algorithm to make use of previous data, but I find reinforcement learning as a better approach for these kinds of problems. I would like to know if anyone of you has used RL to solve similar problems? Also if you could lead me to some resources. I would love to have a conversation regarding this as well! :) Thanks. submitted by /u/ImportantSurround [link] [comments]  ( 2 min )

As the title says... has anyone used Spiking Neural Networks (SNNs) for image processing? More specifically Medical image processing? There seems to be very little on SNNs being used in image processing. I would appreciate input from anyone who has experience with this or if anyone knows of any good Github repositories for this. submitted by /u/bangwhosnext [link] [comments]  ( 1 min )

Say a model is trained on a dataset that is completely randomly generated, and a separate instance of that model is trained on a dataset of the same size but where the features actually have predictive power for the response variable. Given that the same exact model and dataset are used, should the training time be equal in both cases? Or will one be lower than the other, since in one dataset there is actually something for the model to learn whereas the other one is random numbers? Does it depend on which model you're using, or maybe even what parameters you've set with your chosen model? submitted by /u/woodenlathe [link] [comments]  ( 1 min )

I’m looking for a dataset of images, could be of anything, that are labeled as aesthetically pleasing or not according to some human reviewers. Maybe on a scale from 1-10. Maybe it’s art, photographs, real estate photos, etc. I have a couple different ideas about how I could try and infer this by scraping different sources, but thought id check here to see if anyone knows of such a dataset submitted by /u/foreignparent [link] [comments]  ( 1 min )

Hi, I want to build a classifier which uses multiple videos. I know video classifiers exist, but they rely on a single video. The obvious solution is to create an ensemble classifier which uses the outputs of classifiers trained on a single video to provide multi-video classification. For example, training a MLP or XGBoost on the outputs of the pre-softmax layer. While this is ok, I was wondering whether there are any more elegant/specialized end-to-end solutions for this? submitted by /u/rsandler [link] [comments]  ( 1 min )

I stumbled upon this article and realized how dangerous deepfakes could be: https://www.12newsnow.com/article/news/nation-world/ukraine/ukraine-warns-russia-may-deploy-deepfake-videos/507-4f18ea66-d5c7-4dac-9d41-2aea6495efdf The thought originally occurred to me after taking MIT's deep learning class with the Obama deep fake. Are there any prevention measures to counter them? I know even detecting a photoshopped photo is hard, although there is progress. So I'd imagine it would be incredibly hard to use computer vision to detect deep fakes. EXIF data isn't reliable either and it's easily deleted. Maybe in the future, each image would have to come with some sort of validation? Thoughts? submitted by /u/Calm_Ad_343 [link] [comments]  ( 1 min )

I've been trying to train a cycleGAN that, succinctly, converts outlines into realistic looking objects given that outline, and vice-versa. During training, I monitor what each generator is outputting. To define a few terms: G_A should generate an object (domain B) given an outline (domain A) G_B should generate an outline (domain A) given an object (domain B) I've found that the networks always seem to "converge" to a state where G_A generates images belonging to domain A (instead of B) and the same for G_B. Basically, the generators are learning an identity mapping, transforming A -> A, and B -> B. This is exceedingly bizarre as the discriminator should be penalising this behaviour heavily, but the learning of this identity does get stronger over time, the generators are actually training and converging, even if it's to the wrong solution. The loss is your standard LSGAN loss, with cycle terms, and identity terms (this last one involves passing A to G_B and comparing to A, and vice-versa). I've trained GANs successfully before and I've never encountered this before, any advice? submitted by /u/Pedimus [link] [comments]  ( 1 min )

For most ML related conference, it asks you to submit a paper with up to 8 pages long. Is it ok if I submit a paper that is 7 to 7.5 pages long? Will that raise any suspicion among the reviewers because the paper is too short? submitted by /u/SiegeMemeLord [link] [comments]  ( 1 min )

Hello everyone. I am excited about the invitation to do an AMA here. It's my first AMA on reddit, and I will be trying my best! I recently wrote the "Machine Learning with Pytorch and Scikit-Learn" book and joined a startup(Grid.ai) in January. I am also an Assistant Professor of Statistics at the University of Wisconsin-Madison since 2018. Btw. I am also a very passionate Python programmer and love open source. Please feel free to ask me anything about my book, working in industry (although my experience is still limited, haha), academia, or my research projects. But also don't hesitate to go on tangents and ask about other things -- this is an ask me anything after all (... topics like cross-country skiing come to mind). EDIT: Thanks everyone for making my first AMA here a really fun experience! Unfortunately, I have to call it a day, but I had a good time! Thanks for all the good questions, and sorry that I couldn't get to all of them! submitted by /u/seraschka [link] [comments]  ( 9 min )

(copy & paste from website) The positions are part of the Graduate School of the 'Berlin Institute for the Foundations of Learning and Data' (BIFOLD). BIFOLD conducts scalable agile fundamental research in the field of AI, primarily in the areas of data management (DM) and machine learning (ML). The research groups also address the new challenges and demands evoked by the rapidly growing importance of big data management and machine learning in virtually all domains, from medicine, industry, natural sciences, humanities, e-commerce and media, to government and societal affairs. 5 positions each are to be filled within the focus areas of DM (headed by Prof. Volker Markl) and ML (headed by Prof. Klaus-Robert Müller). Working field: Based on the overarching research foci of BIFOLD, the Gr…  ( 1 min )

Hi. I love working on ML/DL problems, but one of the main drawbacks is this constant need to access to quality setup and high performance computing clusters for many meaningful tasks. As a person who is just starting to create a portfolio for myself and only have access to the likes of Colab (ultimately colab Pro), and cannot afford to create my own setup, what are my options? Many jobs require a decent level of familiarity with tools that you can't usually set up without working in a self-made environment. I also live in a third world country as a student and renting online clusters and etc is really expensive for me. So the question becomes what are some potential routes/paths for someone like me who wants to learn new skills and contribute, but really cannot find what to focus with the current resources? Thanks! submitted by /u/quit_daedalus [link] [comments]  ( 2 min )

I'm building a regressor where I'd like to have some uncertainty estimates for my predictions. If a point is far from the training data manifold I expect very high uncertainty so I know that I can't rely on the prediction, i.e. I'm interested in epistemic uncertainty. The problem is that I can't directly define a reliable distance between my data points so I can not simply use something like GP or KNN. I encode my inputs using a neural network and add a regression head on top to provide the predictions. I tried to use MC Dropout to sample multiple predictions during evaluation and use them to estimate the probability distribution. The problem is that there is no observable difference between the variance estimated for the training samples and validation samples. Is it even a valid approach? The more I think about it the more I doubt how is it even possible that this method could yield well calibrated results. It seems unreasonable to expect good calibration without some sort of calibration set, as NN can overfit anything. Am I missing something? submitted by /u/alterframe [link] [comments]  ( 4 min )

https://accelagent.github.io/ submitted by /u/_rockt [link] [comments]

I have a set of data that spans from 2019 to current day (with some gaps in 2021). So far I've been using 2019-2021 data to train/cross validate and 2022 data as my hold out test set. The results on the test set are significantly worse than on the training/CV set. At first I suspected overfitting (as you would), but after playing around with how the datasets are constructed based on time of data capture, I concluded that overfitting is NOT the problem. The actual problem seems to be that in the older data, my positive class is more common than in the most recent data. For example, say in the 2020 data, I could have a 3:1 negative:positive label distribution, whereas in the 2022 data, I could have a 5:1 label distribution. If my training set only sees the 3:1 data, it's no wonder that it…  ( 5 min )

Hi guys, I am PhD student in particle physics and I want to share with you something I worked some months ago with another collegue from Germany. We developed a software to analyze the Higgs-boson open-data from Kaggle (see Higgs Boson ML challenge) and we performed a machine learning analysis in order to separate the signal process (H->tautaut) with respect to the other background processes. We basically used deep neural networks (DNNs) and boosted decision trees (BDTs). We finally compared the obtained outputs of the two models through a logistic regression and validate the result with a metric called arithmetic-mean-significance (AMS). We then used the PyROOT framework to create cool results plots. We basically wrote the code using Jupyter Notebooks only, but later I decided to provide a python script version too in the repository. We wrote also a small paper to explain our work and we presented it at the International School on High-Energy physics. Below you can find the Github repository, if you like it don't forget to leave a star! Girhub repository: JustWhit3/higgs-decay-classification submitted by /u/TheCompiler95 [link] [comments]  ( 1 min )

Three other ML developers have trained and delivered models. The inputs are essentially images and there are three output classes. I've been asked to ensemble the three models. I'm to add a new head and leave the 3 models frozen. This means the new head has only 9 inputs and 3 outputs. Basically, all I feel that I can build are low capacity models with 3 or 4 layers. There's no departure of validation accuracy compared to training accuracy indicating overfitting. No matter what I do, this model trains and tests with holdout data to over 95%. I find that extremely suspicious with so few parameters. I also know that two classes are about 60/40 and the third class is rare. What should I do to convince myself that this model is actually OK, or conversely that it's crap? submitted by /u/Simusid [link] [comments]  ( 2 min )

Is there any significant difference between the machine learning used in physics research (molecular design, turbulence modeling, etc.) and big tech companies (Google, Facebook, etc.)? submitted by /u/Exotic-Dust2008 [link] [comments]

MEng graduate students engage with IBM to develop their research skills and solutions to real-world problems.  ( 6 min )

Whether you’re allocating resources more efficiently for web traffic, forecasting patient demand for staffing needs, or anticipating sales of a company’s products, forecasting is an essential tool across many businesses. One particular use case, known as cold start forecasting, builds forecasts for a time series that has little or no existing historical data, such as […]  ( 6 min )

Real estate businesses have existed for many years and will almost definitely continue to succeed.  ( 4 min )

When using machine learning techniques in decision-making processes, the interpretability of the models is important. In the present paper, we adopted the Shapley additive explanation (SHAP), which is based on fair profit allocation among many stakeholders depending on their contribution, for interpreting a gradient-boosting decision tree model using hospital data. For better interpretability, we propose two novel techniques as follows: (1) a new metric of feature importance using SHAP and (2) a technique termed feature packing, which packs multiple similar features into one grouped feature to allow an easier understanding of the model without reconstruction of the model. We then compared the explanation results between the SHAP framework and existing methods. In addition, we showed how the A/G ratio works as an important prognostic factor for cerebral infarction using our hospital data and proposed techniques.  ( 2 min )

This paper presents and characterizes an Open Application Repository for Federated Learning (OARF), a benchmark suite for federated machine learning systems. Previously available benchmarks for federated learning have focused mainly on synthetic datasets and use a limited number of applications. OARF mimics more realistic application scenarios with publicly available data sets as different data silos in image, text and structured data. Our characterization shows that the benchmark suite is diverse in data size, distribution, feature distribution and learning task complexity. The extensive evaluations with reference implementations show the future research opportunities for important aspects of federated learning systems. We have developed reference implementations, and evaluated the important aspects of federated learning, including model accuracy, communication cost, throughput and convergence time. Through these evaluations, we discovered some interesting findings such as federated learning can effectively increase end-to-end throughput.  ( 2 min )

We study the label shift problem between the source and target domains in general domain adaptation (DA) settings. We consider transformations transporting the target to source domains, which enable us to align the source and target examples. Through those transformations, we define the label shift between two domains via optimal transport and develop theory to investigate the properties of DA under various DA settings (e.g., closed-set, partial-set, open-set, and universal settings). Inspired from the developed theory, we propose Label and Data Shift Reduction via Optimal Transport (LDROT) which can mitigate the data and label shifts simultaneously. Finally, we conduct comprehensive experiments to verify our theoretical findings and compare LDROT with state-of-the-art baselines.  ( 2 min )

Low-rank matrix estimation under heavy-tailed noise is challenging, both computationally and statistically. Convex approaches have been proven statistically optimal but suffer from high computational costs, especially since robust loss functions are usually non-smooth. More recently, computationally fast non-convex approaches via sub-gradient descent are proposed, which, unfortunately, fail to deliver a statistically consistent estimator even under sub-Gaussian noise. In this paper, we introduce a novel Riemannian sub-gradient (RsGrad) algorithm which is not only computationally efficient with linear convergence but also is statistically optimal, be the noise Gaussian or heavy-tailed. Convergence theory is established for a general framework and specific applications to absolute loss, Huber loss and quantile loss are investigated. Compared with existing non-convex methods, ours reveals a surprising phenomenon of dual-phase convergence. In phase one, RsGrad behaves as in a typical non-smooth optimization that requires gradually decaying stepsizes. However, phase one only delivers a statistically sub-optimal estimator which is already observed in existing literature. Interestingly, during phase two, RsGrad converges linearly as if minimizing a smooth and strongly convex objective function and thus a constant stepsize suffices. Underlying the phase-two convergence is the smoothing effect of random noise to the non-smooth robust losses in an area close but not too close to the truth. Numerical simulations confirm our theoretical discovery and showcase the superiority of RsGrad over prior methods.  ( 2 min )

We study the problem of tolerant adversarial PAC learning with respect to metric perturbation sets. In adversarial PAC learning, an adversary is allowed to replace a test point $x$ with an arbitrary point in a closed ball of radius $r$ centered at $x$. In the tolerant version, the error of the learner is compared with the best achievable error with respect to a slightly larger perturbation radius $(1+\gamma)r$. For perturbation sets with doubling dimension $d$, we show that a variant of the natural ``perturb-and-smooth'' algorithm PAC learns any hypothesis class $\mathcal{H}$ with VC dimension $v$ in the $\gamma$-tolerant adversarial setting with $O\left(\frac{v(1+1/\gamma)^{O(d)}}{\varepsilon}\right)$ samples. This is the first such general guarantee with linear dependence on $v$ even for the special case where the domain is the real line and the perturbation sets are closed balls (intervals) of radius $r$. However, the proposed guarantees for the perturb-and-smooth algorithm currently only hold in the tolerant robust realizable setting and exhibit exponential dependence on $d$. We additionally propose an alternative learning method which yields sample complexity bounds with only linear dependence on the doubling dimension even in the more general agnostic case. This approach is based on sample compression.  ( 2 min )

We propose a novel neural network architecture that enables non-parametric calibration and generation of multivariate extreme value distributions (MEVs). MEVs arise from Extreme Value Theory (EVT) as the necessary class of models when extrapolating a distributional fit over large spatial and temporal scales based on data observed in intermediate scales. In turn, EVT dictates that $d$-max-decreasing, a stronger form of convexity, is an essential shape constraint in the characterization of MEVs. As far as we know, our proposed architecture provides the first class of non-parametric estimators for MEVs that preserve these essential shape constraints. We show that our architecture approximates the dependence structure encoded by MEVs at parametric rate. Moreover, we present a new method for sampling high-dimensional MEVs using a generative model. We demonstrate our methodology on a wide range of experimental settings, ranging from environmental sciences to financial mathematics and verify that the structural properties of MEVs are retained compared to existing methods.  ( 2 min )

Data collected at very frequent intervals is usually extremely sparse and has no structure that is exploitable by modern tensor decomposition algorithms. Thus the utility of such tensors is low, in terms of the amount of interpretable and exploitable structure that one can extract from them. In this paper, we introduce the problem of finding a tensor of adaptive aggregated granularity that can be decomposed to reveal meaningful latent concepts (structures) from datasets that, in their original form, are not amenable to tensor analysis. Such datasets fall under the broad category of sparse point processes that evolve over space and/or time. To the best of our knowledge, this is the first work that explores adaptive granularity aggregation in tensors. Furthermore, we formally define the problem and discuss what different definitions of "good structure" can be in practice, and show that optimal solution is of prohibitive combinatorial complexity. Subsequently, we propose an efficient and effective greedy algorithm called IceBreaker, which follows a number of intuitive decision criteria that locally maximize the "goodness of structure", resulting in high-quality tensors. We evaluate our method on synthetic, semi-synthetic and real datasets. In all the cases, our proposed method constructs tensors that have very high structure quality.  ( 2 min )

Ensemble sampling serves as a practical approximation to Thompson sampling when maintaining an exact posterior distribution over model parameters is computationally intractable. In this paper, we establish a Bayesian regret bound that ensures desirable behavior when ensemble sampling is applied to the linear bandit problem. This represents the first rigorous regret analysis of ensemble sampling and is made possible by leveraging information-theoretic concepts and novel analytic techniques that may prove useful beyond the scope of this paper.  ( 2 min )

Deep learning has received much attention lately due to the impressive empirical performance achieved by training algorithms. Consequently, a need for a better theoretical understanding of these problems has become more evident in recent years. In this work, using a unified framework, we show that there exists a polyhedron which encodes simultaneously all possible deep neural network training problems that can arise from a given architecture, activation functions, loss function, and sample-size. Notably, the size of the polyhedral representation depends only linearly on the sample-size, and a better dependency on several other network parameters is unlikely (assuming $P\neq NP$). Additionally, we use our polyhedral representation to obtain new and better computational complexity results for training problems of well-known neural network architectures. Our results provide a new perspective on training problems through the lens of polyhedral theory and reveal a strong structure arising from these problems.  ( 2 min )

Online influence maximization has attracted much attention as a way to maximize influence spread through a social network while learning the values of unknown network parameters. Most previous works focus on single-item diffusion. In this paper, we introduce a new Online Competitive Influence Maximization (OCIM) problem, where two competing items (e.g., products, news stories) propagate in the same network and influence probabilities on edges are unknown. We adopt a combinatorial multi-armed bandit (CMAB) framework for OCIM, but unlike the non-competitive setting, the important monotonicity property (influence spread increases when influence probabilities on edges increase) no longer holds due to the competitive nature of propagation, which brings a significant new challenge to the problem. We provide a nontrivial proof showing that the Triggering Probability Modulated (TPM) condition for CMAB still holds in OCIM, which is instrumental for our proposed algorithms OCIM-TS and OCIM-OFU to achieve sublinear Bayesian and frequentist regret, respectively. We also design an OCIM-ETC algorithm that requires less feedback and easier offline computation, at the expense of a worse frequentist regret bound. Experimental evaluations demonstrate the effectiveness of our algorithms.  ( 2 min )

Research in human-centered AI has shown the benefits of systems that can explain their predictions. Methods that allow an AI to take advice from humans in response to explanations are similarly useful. While both capabilities are well-developed for transparent learning models (e.g., linear models and GA$^2$Ms), and recent techniques (e.g., LIME and SHAP) can generate explanations for opaque models, little attention has been given to advice methods for opaque models. This paper introduces LIMEADE, the first general framework that translates both positive and negative advice (expressed using high-level vocabulary such as that employed by post-hoc explanations) into an update to an arbitrary, underlying opaque model. We demonstrate the generality of our approach with case studies on seventy real-world models across two broad domains: image classification and text recommendation. We show our method improves accuracy compared to a rigorous baseline on the image classification domains. For the text modality, we apply our framework to a neural recommender system for scientific papers on a public website; our user study shows that our framework leads to significantly higher perceived user control, trust, and satisfaction.  ( 2 min )

Pollutant exposures during gestation are a known and adverse factor for birth and health outcomes. However, the links between prenatal air pollution exposures and educational outcomes are less clear, in particular the critical windows of susceptibility during pregnancy. Using a large cohort of students in North Carolina, we study prenatal $\mbox{PM}_{2.5}$ exposures recorded at near-continuous resolutions and linked to 4th end-of-grade reading scores. We develop a locally-adaptive Bayesian regression model for scalar responses with functional and scalar predictors. The proposed model pairs a B-spline basis expansion with dynamic shrinkage priors to capture both smooth and rapidly-changing features in the regression surface. The local adaptivity is manifested in more accurate point estimates and more precise uncertainty quantification than existing methods on simulated data. The model is accompanied by a highly scalable Gibbs sampler for fully Bayesian inference on large datasets. In addition, we describe broad limitations with the interpretability of scalar-on-function regression models, and introduce new decision analysis tools to guide the model interpretation. Using these methods, we identify a period within the third trimester as the critical window of susceptibility to $\mbox{PM}_{2.5}$ exposure.  ( 2 min )

In machine learning, crowdsourcing is an economical way to label a large amount of data. However, the noise in the produced labels may deteriorate the accuracy of any classification method applied to the labelled data. We propose an enhanced nearest neighbor classifier (ENN) to overcome this issue. Two algorithms are developed to estimate the worker quality (which is often unknown in practice): one is to construct the estimate based on the denoised worker labels by applying the $k$NN classifier to the expert data; the other is an iterative algorithm that works even without access to the expert data. Other than strong numerical evidence, our proposed methods are proven to achieve the same regret as its oracle version based on high-quality expert data. As a technical by-product, a lower bound on the sample size assigned to each worker to reach the optimal convergence rate of regret is derived.  ( 2 min )

We consider the problem of controlling an unknown linear dynamical system under a stochastic convex cost and full feedback of both the state and cost function. We present a computationally efficient algorithm that attains an optimal $\sqrt{T}$ regret-rate against the best stabilizing linear controller. In contrast to previous work, our algorithm is based on the Optimism in the Face of Uncertainty paradigm. This results in a substantially improved computational complexity and a simpler analysis.  ( 2 min )

Learning a parametric model of a data distribution is a well-known statistical problem that has seen renewed interest as it is brought to scale in deep learning. Framing the problem as a self-supervised task, where data samples are discriminated from noise samples, is at the core of state-of-the-art methods, beginning with Noise-Contrastive Estimation (NCE). Yet, such contrastive learning requires a good noise distribution, which is hard to specify; domain-specific heuristics are therefore widely used. While a comprehensive theory is missing, it is widely assumed that the optimal noise should in practice be made equal to the data, both in distribution and proportion. This setting underlies Generative Adversarial Networks (GANs) in particular. Here, we empirically and theoretically challenge this assumption on the optimal noise. We show that deviating from this assumption can actually lead to better statistical estimators, in terms of asymptotic variance. In particular, the optimal noise distribution is different from the data's and even from a different family.  ( 2 min )

In this paper, we propose a novel safe screening test for Lasso. Our procedure is based on a safe region with a dome geometry and exploits a canonical representation of the set of half-spaces (referred to as "dual cutting half-spaces" in this paper) containing the dual feasible set. The proposed safe region is shown to be always included in the state-of-the-art "GAP Sphere" and "GAP Dome" proposed by Fercoq et al. (and strictly so under very mild conditions) while involving the same computational burden. Numerical experiments confirm that our new dome enables to devise more powerful screening tests than GAP regions and lead to significant acceleration to solve Lasso.  ( 2 min )

Preserving the performance of a trained model while removing unique characteristics of marked training data points is challenging. Recent research usually suggests retraining a model from scratch with remaining training data or refining the model by reverting the model optimization on the marked data points. Unfortunately, aside from their computational inefficiency, those approaches inevitably hurt the resulting model's generalization ability since they remove not only unique characteristics but also discard shared (and possibly contributive) information. To address the performance degradation problem, this paper presents a novel approach called Performance Unchanged Model Augmentation~(PUMA). The proposed PUMA framework explicitly models the influence of each training data point on the model's generalization ability with respect to various performance criteria. It then complements the negative impact of removing marked data by reweighting the remaining data optimally. To demonstrate the effectiveness of the PUMA framework, we compared it with multiple state-of-the-art data removal techniques in the experiments, where we show the PUMA can effectively and efficiently remove the unique characteristics of marked training data without retraining the model that can 1) fool a membership attack, and 2) resist performance degradation. In addition, as PUMA estimates the data importance during its operation, we show it could serve to debug mislabelled data points more efficiently than existing approaches.

Daily manipulation tasks are characterized by regular characteristics associated with the task structure, which can be described by multiple geometric primitives related to actions and object shapes. Such geometric descriptors can not be expressed only in Cartesian coordinate systems. In this paper, we propose a learning approach to extract the optimal representation from a dictionary of coordinate systems to represent an observed movement. This is achieved by using an extension of Gaussian distributions on Riemannian manifolds, which is used to analyse a set of user demonstrations statistically, by considering multiple geometries as candidate representations of the task. We formulate the reproduction problem as a general optimal control problem based on an iterative linear quadratic regulator (iLQR), where the Gaussian distribution in the extracted coordinate systems are used to define the cost function. We apply our approach to grasping and box opening tasks in simulation and on a 7-axis Franka Emika robot. The results show that the robot can exploit several geometries to execute the manipulation task and generalize it to new situations, by maintaining the invariant features of the skill in the coordinate system(s) of interest.

Conditional variational autoencoders (CVAEs) are versatile deep generative models that extend the standard VAE framework by conditioning the generative model with auxiliary covariates. The original CVAE model assumes that the data samples are independent, whereas more recent conditional VAE models, such as the Gaussian process (GP) prior VAEs, can account for complex correlation structures across all data samples. While several methods have been proposed to learn standard VAEs from partially observed datasets, these methods fall short for conditional VAEs. In this work, we propose a method to learn conditional VAEs from datasets in which auxiliary covariates can contain missing values as well. The proposed method augments the conditional VAEs with a prior distribution for the missing covariates and estimates their posterior using amortised variational inference. At training time, our method marginalises the uncertainty associated with the missing covariates while simultaneously maximising the evidence lower bound. We develop computationally efficient methods to learn CVAEs and GP prior VAEs that are compatible with mini-batching. Our experiments on simulated datasets as well as on a clinical trial study show that the proposed method outperforms previous methods in learning conditional VAEs from non-temporal, temporal, and longitudinal datasets.

The generalization error of a classifier is related to the complexity of the set of functions among which the classifier is chosen. We study a family of low-complexity classifiers consisting of thresholding a random one-dimensional feature. The feature is obtained by projecting the data on a random line after embedding it into a higher-dimensional space parametrized by monomials of order up to k. More specifically, the extended data is projected n-times and the best classifier among those n, based on its performance on training data, is chosen. We show that this type of classifier is extremely flexible, as it is likely to approximate, to an arbitrary precision, any continuous function on a compact set as well as any boolean function on a compact set that splits the support into measurable subsets. In particular, given full knowledge of the class conditional densities, the error of these low-complexity classifiers would converge to the optimal (Bayes) error as k and n go to infinity. On the other hand, if only a training dataset is given, we show that the classifiers will perfectly classify all the training points as k and n go to infinity. We also bound the generalization error of our random classifiers. In general, our bounds are better than those for any classifier with VC dimension greater than O (ln n) . In particular, our bounds imply that, unless the number of projections n is extremely large, there is a significant advantageous gap between the generalization error of the random projection approach and that of a linear classifier in the extended space. Asymptotically, as the number of samples approaches infinity, the gap persists for any such n. Thus, there is a potentially large gain in generalization properties by selecting parameters at random, rather than optimization.

This work discusses how to derive upper bounds for the expected generalisation error of supervised learning algorithms by means of the chaining technique. By developing a general theoretical framework, we establish a duality between generalisation bounds based on the regularity of the loss function, and their chained counterparts, which can be obtained by lifting the regularity assumption from the loss onto its gradient. This allows us to re-derive the chaining mutual information bound from the literature, and to obtain novel chained information-theoretic generalisation bounds, based on the Wasserstein distance and other probability metrics. We show on some toy examples that the chained generalisation bound can be significantly tighter than its standard counterpart, particularly when the distribution of the hypotheses selected by the algorithm is very concentrated. Keywords: Generalisation bounds; Chaining; Information-theoretic bounds; Mutual information; Wasserstein distance; PAC-Bayes.

Density-based directed distances -- particularly known as divergences -- between probability distributions are widely used in statistics as well as in the adjacent research fields of information theory, artificial intelligence and machine learning. Prominent examples are the Kullback-Leibler information distance (relative entropy) which e.g. is closely connected to the omnipresent maximum likelihood estimation method, and Pearson's chisquare-distance which e.g. is used for the celebrated chisquare goodness-of-fit test. Another line of statistical inference is built upon distribution-function-based divergences such as e.g. the prominent (weighted versions of) Cramer-von Mises test statistics respectively Anderson-Darling test statistics which are frequently applied for goodness-of-fit investigations; some more recent methods deal with (other kinds of) cumulative paired divergences and closely related concepts. In this paper, we provide a general framework which covers in particular both the above-mentioned density-based and distribution-function-based divergence approaches; the dissimilarity of quantiles respectively of other statistical functionals will be included as well. From this framework, we structurally extract numerous classical and also state-of-the-art (including new) procedures. Furthermore, we deduce new concepts of dependence between random variables, as alternatives to the celebrated mutual information. Some variational representations are discussed, too.

We study the limiting behavior of the mixed strategies that result from optimal no-regret learning strategies in a repeated game setting where the stage game is any 2 by 2 competitive game. We consider optimal no-regret algorithms that are mean-based and monotonic in their argument. We show that for any such algorithm, the limiting mixed strategies of the players cannot converge almost surely to any Nash equilibrium. This negative result is also shown to hold under a broad relaxation of these assumptions, including popular variants of Online-Mirror-Descent with optimism and/or adaptive step-sizes. Finally, we conjecture that the monotonicity assumption can be removed, and provide partial evidence for this conjecture. Our results identify the inherent stochasticity in players' realizations as a critical factor underlying this divergence in outcomes between using the opponent's mixtures and realizations to make updates.

We consider the problem of detecting the presence of a signal in a rank-one spiked Wigner model. Assuming that the signal is drawn from the Rademacher prior, we prove that the log likelihood ratio of the spiked model against the null model converges to a Gaussian when the signal-to-noise ratio is below a certain threshold. From the mean and the variance of the limiting Gaussian, we also compute the limit of the sum of the Type-I error and the Type-II error of the likelihood ratio test.

We propose the Factor Augmented sparse linear Regression Model (FARM) that not only encompasses both the latent factor regression and sparse linear regression as special cases but also bridges dimension reduction and sparse regression together. We provide theoretical guarantees for the estimation of our model under the existence of sub-Gaussian and heavy-tailed noises (with bounded (1+x)-th moment, for all x>0), respectively. In addition, the existing works on supervised learning often assume the latent factor regression or the sparse linear regression is the true underlying model without justifying its adequacy. To fill in such an important gap, we also leverage our model as the alternative model to test the sufficiency of the latent factor regression and the sparse linear regression models. To accomplish these goals, we propose the Factor-Adjusted de-Biased Test (FabTest) and a two-stage ANOVA type test respectively. We also conduct large-scale numerical experiments including both synthetic and FRED macroeconomics data to corroborate the theoretical properties of our methods. Numerical results illustrate the robustness and effectiveness of our model against latent factor regression and sparse linear regression models.

We consider the problem of deciding how best to target and prioritize existing vaccines that may offer protection against new variants of an infectious disease. Sequential experiments are a promising approach; however, challenges due to delayed feedback and the overall ebb and flow of disease prevalence make available method inapplicable for this task. We present a method, partial likelihood Thompson sampling, that can handle these challenges. Our method involves running Thompson sampling with belief updates determined by partial likelihood each time we observe an event. To test our approach, we ran a semi-synthetic experiment based on 200 days of COVID-19 infection data in the US.

We present simple methods for out-of-distribution detection using a trained generative model. These techniques, based on classical statistical tests, are model-agnostic in the sense that they can be applied to any differentiable generative model. The idea is to combine a classical parametric test (Rao's score test) with the recently introduced typicality test. These two test statistics are both theoretically well-founded and exploit different sources of information based on the likelihood for the typicality test and its gradient for the score test. We show that combining them using Fisher's method overall leads to a more accurate out-of-distribution test. We also discuss the benefits of casting out-of-distribution detection as a statistical testing problem, noting in particular that false positive rate control can be valuable for practical out-of-distribution detection. Despite their simplicity and generality, these methods can be competitive with model-specific out-of-distribution detection algorithms without any assumptions on the out-distribution.

Circadian rhythms influence multiple essential biological activities including sleep, performance, and mood. The dim light melatonin onset (DLMO) is the gold standard for measuring human circadian phase (i.e., timing). The collection of DLMO is expensive and time-consuming since multiple saliva or blood samples are required overnight in special conditions, and the samples must then be assayed for melatonin. Recently, several computational approaches have been designed for estimating DLMO. These methods collect daily sampled data (e.g., sleep onset/offset times) or frequently sampled data (e.g., light exposure/skin temperature/physical activity collected every minute) to train learning models for estimating DLMO. One limitation of these studies is that they only leverage one time-scale data. We propose a two-step framework for estimating DLMO using data from both time scales. The first step summarizes data from before the current day, while the second step combines this summary with frequently sampled data of the current day. We evaluate three moving average models that input sleep timing data as the first step and use recurrent neural network models as the second step. The results using data from 207 undergraduates show that our two-step model with two time-scale features has statistically significantly lower root-mean-square errors than models that use either daily sampled data or frequently sampled data.

A key question in many low-rank problems throughout optimization, machine learning, and statistics is to characterize the convex hulls of simple low-rank sets and judiciously apply these convex hulls to obtain strong yet computationally tractable convex relaxations. We invoke the matrix perspective function - the matrix analog of the perspective function - and characterize explicitly the convex hull of epigraphs of simple matrix convex functions under low-rank constraints. Further, we combine the matrix perspective function with orthogonal projection matrices-the matrix analog of binary variables which capture the row-space of a matrix-to develop a matrix perspective reformulation technique that reliably obtains strong relaxations for a variety of low-rank problems, including reduced rank regression, non-negative matrix factorization, and factor analysis. Moreover, we establish that these relaxations can be modeled via semidefinite constraints and thus optimized over tractably. The proposed approach parallels and generalizes the perspective reformulation technique in mixed-integer optimization and leads to new relaxations for a broad class of problems.

When training deep neural networks for classification tasks, an intriguing empirical phenomenon has been widely observed in the last-layer classifiers and features, where (i) the class means and the last-layer classifiers all collapse to the vertices of a Simplex Equiangular Tight Frame (ETF) up to scaling, and (ii) cross-example within-class variability of last-layer activations collapses to zero. This phenomenon is called Neural Collapse (NC), which seems to take place regardless of the choice of loss functions. In this work, we justify NC under the mean squared error (MSE) loss, where recent empirical evidence shows that it performs comparably or even better than the de-facto cross-entropy loss. Under a simplified unconstrained feature model, we provide the first global landscape analysis for vanilla nonconvex MSE loss and show that the (only!) global minimizers are neural collapse solutions, while all other critical points are strict saddles whose Hessian exhibit negative curvature directions. Furthermore, we justify the usage of rescaled MSE loss by probing the optimization landscape around the NC solutions, showing that the landscape can be improved by tuning the rescaling hyperparameters. Finally, our theoretical findings are experimentally verified on practical network architectures.

Adversarial attack is an emerging threat to the trustability of machine learning. Understanding these attacks is becoming a crucial task. We propose a new vision on neural network robustness using Riemannian geometry and foliation theory, and create a new adversarial attack by taking into account the curvature of the data space. This new adversarial attack called the "dog-leg attack" is a two-step approximation of a geodesic in the data space. The data space is treated as a (pseudo) Riemannian manifold equipped with the pullback of the Fisher Information Metric (FIM) of the neural network. In most cases, this metric is only semi-definite and its kernel becomes a central object to study. A canonical foliation is derived from this kernel. The curvature of the foliation's leaves gives the appropriate correction to get a two-step approximation of the geodesic and hence a new efficient adversarial attack. Our attack is tested on a toy example, a neural network trained to mimic the $\texttt{Xor}$ function, and demonstrates better results that the state of the art attack presented by Zhao et al. (2019).

The Grammar of Institutions, or Institutional Grammar, is an established approach to encode policy information in terms of institutional statements based on a set of pre-defined syntactic components. This codebook provides coding guidelines for a revised version of the Institutional Grammar, the Institutional Grammar 2.0 (IG 2.0). IG 2.0 is a specification that aims at facilitating the encoding of policy to meet varying analytical objectives. To this end, it revises the grammar with respect to comprehensiveness, flexibility, and specificity by offering multiple levels of expressiveness (IG Core, IG Extended, IG Logico). In addition to the encoding of regulative statements, it further introduces the encoding of constitutive institutional statements, as well as statements that exhibit both constitutive and regulative characteristics. Introducing those aspects, the codebook initially covers fundamental concepts of IG 2.0, before providing an overview of pre-coding steps relevant for document preparation. Detailed coding guidelines are provided for both regulative and constitutive statements across all levels of expressiveness, along with the encoding guidelines for statements of mixed form -- hybrid and polymorphic institutional statements. The document further provides an overview of taxonomies used in the encoding process and referred to throughout the codebook. The codebook concludes with a summary and discussion of relevant considerations to facilitate the coding process. An initial Reader's Guide helps the reader tailor the content to her interest. Note that this codebook specifically focuses on operational aspects of IG 2.0 in the context of policy coding. Links to additional resources such as the underlying scientific literature (that offers a comprehensive treatment of the underlying theoretical concepts) are referred to in the DOI and the concluding section of the codebook.

We propose a novel accelerated stochastic algorithm -- primal-dual accelerated stochastic gradient descent with variance reduction (PDASGD) -- for solving the optimal transport (OT) problem between two discrete distributions. PDASGD can also be utilized to compute for the Wasserstein barycenter (WB) of multiple discrete distributions. In both the OT and WB cases, the proposed algorithm enjoys the best-known convergence rate (in the form of order of computational complexity) in the literature. PDASGD is easy to implement in nature, due to its stochastic property: computation per iteration can be much faster than other non-stochastic counterparts. We carry out numerical experiments on both synthetic and real data; they demonstrate the improved efficiency of PDASGD.

We study the computational complexity of the optimal transport problem that evaluates the Wasserstein distance between the distributions of two K-dimensional discrete random vectors. The best known algorithms for this problem run in polynomial time in the maximum of the number of atoms of the two distributions. However, if the components of either random vector are independent, then this number can be exponential in K even though the size of the problem description scales linearly with K. We prove that the described optimal transport problem is #P-hard even if all components of the first random vector are independent uniform Bernoulli random variables, while the second random vector has merely two atoms, and even if only approximate solutions are sought. We also develop a dynamic programming-type algorithm that approximates the Wasserstein distance in pseudo-polynomial time when the components of the first random vector follow arbitrary independent discrete distributions, and we identify special problem instances that can be solved exactly in strongly polynomial time.

Fully Bayesian approaches to sequential decision-making assume that problem parameters are generated from a known prior. In practice, such information is often lacking. This problem is exacerbated in setups with partial information, where a misspecified prior may lead to poor exploration and performance. In this work we prove, in the context of stochastic linear bandits and Gaussian priors, that as long as the prior is sufficiently close to the true prior, the performance of the applied algorithm is close to that of the algorithm that uses the true prior. Furthermore, we address the task of learning the prior through metalearning, where a learner updates her estimate of the prior across multiple task instances in order to improve performance on future tasks. We provide an algorithm and regret bounds, demonstrate its effectiveness in comparison to an algorithm that knows the correct prior, and support our theoretical results empirically. Our theoretical results hold for a broad class of algorithms, including Thompson Sampling and Information Directed Sampling.

In medical practice, treatments are selected based on the expected causal effects on patient outcomes. Here, the gold standard for estimating causal effects are randomized controlled trials; however, such trials are costly and sometimes even unethical. Instead, medical practice is increasingly interested in estimating causal effects among patient subgroups from electronic health records, that is, observational data. In this paper, we aim at estimating the average causal effect (ACE) from observational data (patient trajectories) that are collected over time. For this, we propose DeepACE: an end-to-end deep learning model. DeepACE leverages the iterative G-computation formula to adjust for the bias induced by time-varying confounders. Moreover, we develop a novel sequential targeting procedure which ensures that DeepACE has favorable theoretical properties, i.e., is doubly robust and asymptotically efficient. To the best of our knowledge, this is the first work that proposes an end-to-end deep learning model for estimating time-varying ACEs. We compare DeepACE in an extensive number of experiments, confirming that it achieves state-of-the-art performance. We further provide a case study for patients suffering from low back pain to demonstrate that DeepACE generates important and meaningful findings for clinical practice. Our work enables medical practitioners to develop effective treatment recommendations tailored to patient subgroups.

We study finite-time horizon continuous-time linear-convex reinforcement learning problems in an episodic setting. In this problem, the unknown linear jump-diffusion process is controlled subject to nonsmooth convex costs. We show that the associated linear-convex control problems admit Lipchitz continuous optimal feedback controls and further prove the Lipschitz stability of the feedback controls, i.e., the performance gap between applying feedback controls for an incorrect model and for the true model depends Lipschitz-continuously on the magnitude of perturbations in the model coefficients; the proof relies on a stability analysis of the associated forward-backward stochastic differential equation. We then propose a novel least-squares algorithm which achieves a regret of the order $O(\sqrt{N\ln N})$ on linear-convex learning problems with jumps, where $N$ is the number of learning episodes; the analysis leverages the Lipschitz stability of feedback controls and concentration properties of sub-Weibull random variables. Numerical experiment confirms the convergence and the robustness of the proposed algorithm.

Increasing interest in privacy-preserving machine learning has led to new and evolved approaches for generating private synthetic data from undisclosed real data. However, mechanisms of privacy preservation can significantly reduce the utility of synthetic data, which in turn impacts downstream tasks such as learning predictive models or inference. We propose several re-weighting strategies using privatised likelihood ratios that not only mitigate statistical bias of downstream estimators but also have general applicability to differentially private generative models. Through large-scale empirical evaluation, we show that private importance weighting provides simple and effective privacy-compliant augmentation for general applications of synthetic data.

Density peaks clustering has become a nova of clustering algorithm because of its simplicity and practicality. However, there is one main drawback: it is time-consuming due to its high computational complexity. Herein, a density peaks clustering algorithm with sparse search and K-d tree is developed to solve this problem. Firstly, a sparse distance matrix is calculated by using K-d tree to replace the original full rank distance matrix, so as to accelerate the calculation of local density. Secondly, a sparse search strategy is proposed to accelerate the computation of relative-separation with the intersection between the set of k nearest neighbors and the set consisting of the data points with larger local density for any data point. Furthermore, a second-order difference method for decision values is adopted to determine the cluster centers adaptively. Finally, experiments are carried out on datasets with different distribution characteristics, by comparing with other five typical clustering algorithms. It is proved that the algorithm can effectively reduce the computational complexity. Especially for larger datasets, the efficiency is elevated more remarkably. Moreover, the clustering accuracy is also improved to a certain extent. Therefore, it can be concluded that the overall performance of the newly proposed algorithm is excellent.

We derive an algorithm that achieves the optimal (within constants) pseudo-regret in both adversarial and stochastic multi-armed bandits without prior knowledge of the regime and time horizon. The algorithm is based on online mirror descent (OMD) with Tsallis entropy regularization with power $\alpha=1/2$ and reduced-variance loss estimators. More generally, we define an adversarial regime with a self-bounding constraint, which includes stochastic regime, stochastically constrained adversarial regime (Wei and Luo), and stochastic regime with adversarial corruptions (Lykouris et al.) as special cases, and show that the algorithm achieves logarithmic regret guarantee in this regime and all of its special cases simultaneously with the adversarial regret guarantee.} The algorithm also achieves adversarial and stochastic optimality in the utility-based dueling bandit setting. We provide empirical evaluation of the algorithm demonstrating that it significantly outperforms UCB1 and EXP3 in stochastic environments. We also provide examples of adversarial environments, where UCB1 and Thompson Sampling exhibit almost linear regret, whereas our algorithm suffers only logarithmic regret. To the best of our knowledge, this is the first example demonstrating vulnerability of Thompson Sampling in adversarial environments. Last, but not least, we present a general stochastic analysis and a general adversarial analysis of OMD algorithms with Tsallis entropy regularization for $\alpha\in[0,1]$ and explain the reason why $\alpha=1/2$ works best.

Bilevel optimization has found extensive applications in modern machine learning problems such as hyperparameter optimization, neural architecture search, meta-learning, etc. While bilevel problems with a unique inner minimal point (e.g., where the inner function is strongly convex) are well understood, bilevel problems with multiple inner minimal points remains to be a challenging and open problem. Existing algorithms designed for such a problem were applicable to restricted situations and do not come with the full guarantee of convergence. In this paper, we propose a new approach, which convert the bilevel problem to an equivalent constrained optimization, and then the primal-dual algorithm can be used to solve the problem. Such an approach enjoys a few advantages including (a) addresses the multiple inner minima challenge; (b) features fully first-order efficiency without involving second-order Hessian and Jacobian computations, as opposed to most existing gradient-based bilevel algorithms; (c) admits the convergence guarantee via constrained nonconvex optimization. Our experiments further demonstrate the desired performance of the proposed approach.

Decentralized learning empowers wireless network devices to collaboratively train a machine learning (ML) model relying solely on device-to-device (D2D) communication. It is known that the convergence speed of decentralized optimization algorithms severely depends on the degree of the network connectivity, with denser network topologies leading to shorter convergence time. Consequently, local connectivity of real world mesh networks, due to the limited communication range of its wireless nodes, undermines the efficiency of decentralized learning protocols, rendering them potentially impracticable. In this work we investigate the role of an unmanned aerial vehicle (UAV), used as flying relay, in facilitating decentralized learning procedures in such challenging conditions. We propose an optimized UAV trajectory, that is defined as a sequence of waypoints that the UAV visits sequentially in order to transfer intelligence across sparsely connected group of users. We then provide a series of experiments highlighting the essential role of UAVs in the context of decentralized learning over mesh networks.  ( 2 min )

In this paper, we propose a novel safe screening test for Lasso. Our procedure is based on a safe region with a dome geometry and exploits a canonical representation of the set of half-spaces (referred to as "dual cutting half-spaces" in this paper) containing the dual feasible set. The proposed safe region is shown to be always included in the state-of-the-art "GAP Sphere" and "GAP Dome" proposed by Fercoq et al. (and strictly so under very mild conditions) while involving the same computational burden. Numerical experiments confirm that our new dome enables to devise more powerful screening tests than GAP regions and lead to significant acceleration to solve Lasso.  ( 2 min )

Graph Neural Networks (GNNs) have achieved great success in various tasks, but their performance highly relies on a large number of labeled nodes, which typically requires considerable human effort. GNN-based Active Learning (AL) methods are proposed to improve the labeling efficiency by selecting the most valuable nodes to label. Existing methods assume an oracle can correctly categorize all the selected nodes and thus just focus on the node selection. However, such an exact labeling task is costly, especially when the categorization is out of the domain of individual expert (oracle). The paper goes further, presenting a soft-label approach to AL on GNNs. Our key innovations are: i) relaxed queries where a domain expert (oracle) only judges the correctness of the predicted labels (a binary question) rather than identifying the exact class (a multi-class question), and ii) new criteria of maximizing information gain propagation for active learner with relaxed queries and soft labels. Empirical studies on public datasets demonstrate that our method significantly outperforms the state-of-the-art GNN-based AL methods in terms of both accuracy and labeling cost.  ( 2 min )

In the European Center of Excellence in Exascale computing "Research on AI- and Simulation-Based Engineering at Exascale" (CoE RAISE), researchers develop novel, scalable AI technologies towards Exascale. This work exercises High Performance Computing resources to perform large-scale hyperparameter optimization using distributed training on multiple compute nodes. This is part of RAISE's work on data-driven use cases which leverages AI- and HPC cross-methods developed within the project. In response to the demand for parallelizable and resource efficient hyperparameter optimization methods, advanced hyperparameter search algorithms are benchmarked and compared. The evaluated algorithms, including Random Search, Hyperband and ASHA, are tested and compared in terms of both accuracy and accuracy per compute resources spent. As an example use case, a graph neural network model known as MLPF, developed for the task of Machine-Learned Particle-Flow reconstruction in High Energy Physics, acts as the base model for optimization. Results show that hyperparameter optimization significantly increased the performance of MLPF and that this would not have been possible without access to large-scale High Performance Computing resources. It is also shown that, in the case of MLPF, the ASHA algorithm in combination with Bayesian optimization gives the largest performance increase per compute resources spent out of the investigated algorithms.  ( 2 min )

Q-learning is one of the most well-known Reinforcement Learning algorithms. There have been tremendous efforts to develop this algorithm using neural networks. Bootstrapped Deep Q-Learning Network is amongst one of them. It utilizes multiple neural network heads to introduce diversity into Q-learning. Diversity can sometimes be viewed as the amount of reasonable moves an agent can take at a given state, analogous to the definition of the exploration ratio in RL. Thus, the performance of Bootstrapped Deep Q-Learning Network is deeply connected with the level of diversity within the algorithm. In the original research, it was pointed out that a random prior could improve the performance of the model. In this article, we further explore the possibility of treating priors as a special type of noise and sample priors from a Gaussian distribution to introduce more diversity into this algorithm. We conduct our experiment on the Atari benchmark and compare our algorithm to both the original and other related algorithms. The results show that our modification of the Bootstrapped Deep Q-Learning algorithm achieves significantly higher evaluation scores across different types of Atari games. Thus, we conclude that noisy priors can improve Bootstrapped Deep Q-Learning's performance by ensuring the integrity of diversities.  ( 2 min )

The hypothesis here states that neural network algorithms such as Multi-layer Perceptron (MLP) have higher accuracy in differentiating malicious and semi-structured phishing URLs. Compared to classical machine learning algorithms such as Logistic Regression and Multinomial Naive Bayes, the classical algorithms rely heavily on substantial corpus data training and machine learning experts' domain knowledge to perform complex feature engineering. MLP could perform non-linear separable multi-classes classification and focus less on corpus feature training. In addition, backpropagation weight adjustment could learn which features are more important in differentiating phishing from other attack types.  ( 2 min )

In this paper, we set out to quantify the syntactic capacity of BERT in the evaluation regime of non-context free patterns, as occurring in Dutch. We devise a test suite based on a mildly context-sensitive formalism, from which we derive grammars that capture the linguistic phenomena of control verb nesting and verb raising. The grammars, paired with a small lexicon, provide us with a large collection of naturalistic utterances, annotated with verb-subject pairings, that serve as the evaluation test bed for an attention-based span selection probe. Our results, backed by extensive analysis, suggest that the models investigated fail in the implicit acquisition of the dependencies examined.  ( 2 min )

Correspondence learning is a fundamental problem in robotics, which aims to learn a mapping between state, action pairs of agents of different dynamics or embodiments. However, current correspondence learning methods either leverage strictly paired data -- which are often difficult to collect -- or learn in an unsupervised fashion from unpaired data using regularization techniques such as cycle-consistency -- which suffer from severe misalignment issues. We propose a weakly supervised correspondence learning approach that trades off between strong supervision over strictly paired data and unsupervised learning with a regularizer over unpaired data. Our idea is to leverage two types of weak supervision: i) temporal ordering of states and actions to reduce the compounding error, and ii) paired abstractions, instead of paired data, to alleviate the misalignment problem and learn a more accurate correspondence. The two types of weak supervision are easy to access in real-world applications, which simultaneously reduces the high cost of annotating strictly paired data and improves the quality of the learned correspondence.  ( 2 min )

Automatic fault detection (AFD) is a key technology to optimize the Operation and Maintenance of photovoltaic (PV) systems portfolios. A very common approach to detect faults in PV systems is based on the comparison between measured and simulated performance. Although this approach has been explored by many authors, due to the lack a common basis for evaluating their performance, it is still unclear what are the influencing aspects in the design of AFD algorithms. In this study, a series of AFD algorithms have been tested under real operating conditions, using monitoring data collected over 58 months on 80 rooftop-type PV systems installed in Germany. The results shown that this type of AFD algorithm have the potential to detect up to 82.8% of the energy losses with specificity above 90%. In general, the higher the simulation accuracy, the higher the specificity. The use of less accurate simulations can increase sensitivity at the cost of decreasing specificity. Analyzing the measurements individually makes the algorithm less sensitive to the simulation accuracy. The use of machine learning clustering algorithm for the statistical analysis showed exceptional ability to prevent false alerts, even in cases where the modeling accuracy is not high. If a slightly higher level of false alerts can be tolerated, the analysis of daily PR using a Shewhart chart provides the high sensitivity with an exceptionally simple solution with no need for more complex algorithms for modeling or clustering.  ( 2 min )

Despite significant developments in the design of surgical robots and automated techniques for objective evaluation of surgical skills, there are still challenges in ensuring safety in robot-assisted minimally-invasive surgery (RMIS). This paper presents a runtime monitoring system for the detection of executional errors during surgical tasks through the analysis of kinematic data. The proposed system incorporates dual Siamese neural networks and knowledge of surgical context, including surgical tasks and gestures, their distributional similarities, and common error modes, to learn the differences between normal and erroneous surgical trajectories from small training datasets. We evaluate the performance of the error detection using Siamese networks compared to single CNN and LSTM networks trained with different levels of contextual knowledge and training data, using the dry-lab demonstrations of the Suturing and Needle Passing tasks from the JIGSAWS dataset. Our results show that gesture specific task nonspecific Siamese networks obtain micro F1 scores of 0.94 (Siamese-CNN) and 0.95 (Siamese-LSTM), and perform better than single CNN (0.86) and LSTM (0.87) networks. These Siamese networks also outperform gesture nonspecific task specific Siamese-CNN and Siamese-LSTM models for Suturing and Needle Passing.  ( 2 min )

In real-world edge AI applications, their accuracy is often affected by various environmental factors, such as noises, location/calibration of sensors, and time-related changes. This article introduces a neural network based on-device learning approach to address this issue without going deep. Our approach is quite different from de facto backpropagation based training but tailored for low-end edge devices. This article introduces its algorithm and implementation on a wireless sensor node consisting of Raspberry Pi Pico and low-power wireless module. Experiments using vibration patterns of rotating machines demonstrate that retraining by the on-device learning significantly improves an anomaly detection accuracy at a noisy environment while saving computation and communication costs for low power.  ( 2 min )

Interpolations in the latent space of deep generative models is one of the standard tools to synthesize semantically meaningful mixtures of generated samples. As the generator function is non-linear, commonly used linear interpolations in the latent space do not yield the shortest paths in the sample space, resulting in non-smooth interpolations. Recent work has therefore equipped the latent space with a suitable metric to enforce shortest paths on the manifold of generated samples. These are often, however, susceptible of veering away from the manifold of real samples, resulting in smooth but unrealistic generation that requires an additional method to assess the sample quality along paths. Generative Adversarial Networks (GANs), by construction, measure the sample quality using its discriminator network. In this paper, we establish that the discriminator can be used effectively to avoid regions of low sample quality along shortest paths. By reusing the discriminator network to modify the metric on the latent space, we propose a lightweight solution for improved interpolations in pre-trained GANs.  ( 2 min )

Time series forecasting is a challenging problem particularly when a time series expresses multiple seasonality, nonlinear trend and varying variance. In this work, to forecast complex time series, we propose ensemble learning which is based on randomized neural networks, and boosted in three ways. These comprise ensemble learning based on residuals, corrected targets and opposed response. The latter two methods are employed to ensure similar forecasting tasks are solved by all ensemble members, which justifies the use of exactly the same base models at all stages of ensembling. Unification of the tasks for all members simplifies ensemble learning and leads to increased forecasting accuracy. This was confirmed in an experimental study involving forecasting time series with triple seasonality, in which we compare our three variants of ensemble boosting. The strong points of the proposed ensembles based on RandNNs are extremely rapid training and pattern-based time series representation, which extracts relevant information from time series.  ( 2 min )

Tables organize valuable content in a concise and compact representation. This content is extremely valuable for systems such as search engines, Knowledge Graph's, etc, since they enhance their predictive capabilities. Unfortunately, tables come in a large variety of shapes and sizes. Furthermore, they can have complex column/row-header configurations, multiline rows, different variety of separation lines, missing entries, etc. As such, the correct identification of the table-structure from an image is a non-trivial task. In this paper, we present a new table-structure identification model. The latter improves the latest end-to-end deep learning model (i.e. encoder-dual-decoder from PubTabNet) in two significant ways. First, we introduce a new object detection decoder for table-cells. In this way, we can obtain the content of the table-cells from programmatic PDF's directly from the PDF source and avoid the training of the custom OCR decoders. This architectural change leads to more accurate table-content extraction and allows us to tackle non-english tables. Second, we replace the LSTM decoders with transformer based decoders. This upgrade improves significantly the previous state-of-the-art tree-editing-distance-score (TEDS) from 91% to 98.5% on simple tables and from 88.7% to 95% on complex tables.  ( 2 min )

Electric vehicle (EV) charging stations have become prominent in electricity grids in the past years. Analysis of EV charging sessions is useful for flexibility analysis, load balancing, offering incentives to customers, etc. Yet, the limited availability of such EV sessions data hinders further development in these fields. Addressing this need for publicly available and realistic data, we develop a synthetic data generator (SDG) for EV charging sessions. Our SDG assumes the EV inter-arrival time to follow an exponential distribution. Departure times are modeled by defining a conditional probability density function (pdf) for connection times. This pdf for connection time and required energy is fitted by Gaussian mixture models. Since we train our SDG using a large real-world dataset, its output is realistic.  ( 2 min )

Most existing literature on supply chain and inventory management consider stochastic demand processes with zero or constant lead times. While it is true that in certain niche scenarios, uncertainty in lead times can be ignored, most real-world scenarios exhibit stochasticity in lead times. These random fluctuations can be caused due to uncertainty in arrival of raw materials at the manufacturer's end, delay in transportation, an unforeseen surge in demands, and switching to a different vendor, to name a few. Stochasticity in lead times is known to severely degrade the performance in an inventory management system, and it is only fair to abridge this gap in supply chain system through a principled approach. Motivated by the recently introduced delay-resolved deep Q-learning (DRDQN) algorithm, this paper develops a reinforcement learning based paradigm for handling uncertainty in lead times (\emph{action delay}). Through empirical evaluations, it is further shown that the inventory management with uncertain lead times is not only equivalent to that of delay in information sharing across multiple echelons (\emph{observation delay}), a model trained to handle one kind of delay is capable to handle delays of another kind without requiring to be retrained. Finally, we apply the delay-resolved framework to scenarios comprising of multiple products subjected to stochasticity in lead times, and elucidate how the delay-resolved framework negates the effect of any delay to achieve near-optimal performance.  ( 2 min )

Building huge and highly capable language models has been a trend in the past years. Despite their great performance, they incur high computational cost. A common solution is to apply model compression or choose light-weight architectures, which often need a separate fixed-size model for each desirable computational budget, and may lose performance in case of heavy compression. This paper proposes an effective dynamic inference approach, called E-LANG, which distributes the inference between large accurate Super-models and light-weight Swift models. To this end, a decision making module routes the inputs to Super or Swift models based on the energy characteristics of the representations in the latent space. This method is easily adoptable and architecture agnostic. As such, it can be applied to black-box pre-trained models without a need for architectural manipulations, reassembling of modules, or re-training. Unlike existing methods that are only applicable to encoder-only backbones and classification tasks, our method also works for encoder-decoder structures and sequence-to-sequence tasks such as translation. The E-LANG performance is verified through a set of experiments with T5 and BERT backbones on GLUE, SuperGLUE, and WMT. In particular, we outperform T5-11B with an average computations speed-up of 3.3$\times$ on GLUE and 2.9$\times$ on SuperGLUE. We also achieve BERT-based SOTA on GLUE with 3.2$\times$ less computations. Code and demo are available in the supplementary materials.  ( 2 min )

This work discusses how to derive upper bounds for the expected generalisation error of supervised learning algorithms by means of the chaining technique. By developing a general theoretical framework, we establish a duality between generalisation bounds based on the regularity of the loss function, and their chained counterparts, which can be obtained by lifting the regularity assumption from the loss onto its gradient. This allows us to re-derive the chaining mutual information bound from the literature, and to obtain novel chained information-theoretic generalisation bounds, based on the Wasserstein distance and other probability metrics. We show on some toy examples that the chained generalisation bound can be significantly tighter than its standard counterpart, particularly when the distribution of the hypotheses selected by the algorithm is very concentrated. Keywords: Generalisation bounds; Chaining; Information-theoretic bounds; Mutual information; Wasserstein distance; PAC-Bayes.  ( 2 min )

In this paper, we consider the problem of randomized group fair ranking that merges given ranked list of items from different sensitive demographic groups while satisfying given lower and upper bounds on the representation of each group in the top ranks. Our randomized group fair ranking formulation works even when there is implicit bias, incomplete relevance information, or when only ordinal ranking is available instead of relevance scores or utility values. We take an axiomatic approach and show that there is a unique distribution $\mathcal{D}$ to sample a random group fair ranking that satisfies a natural set of consistency and fairness axioms. Moreover, $\mathcal{D}$ satisfies representation constraints for every group at every rank, a characteristic that cannot be satisfied by any deterministic ranking. We propose three algorithms to sample a random group fair ranking from $\mathcal{D}$. Our first algorithm samples rankings from $\mathcal{D}$ exactly, in time exponential in the number of groups. Our second algorithm samples random group fair rankings from $\mathcal{D}$ exactly and is faster than the first algorithm when the gap between upper and lower bounds on the representation for each group is small. Our third algorithm samples rankings from a distribution $\epsilon$-close to $\mathcal{D}$ in total variation distance, and has expected running time polynomial in all input parameters and $1/\epsilon$ when there is a large gap between upper and lower bound representation constraints for all the groups. We experimentally validate the above guarantees of our algorithms for group fairness in top ranks and representation in every rank on real-world data sets.

Adversarial attack is an emerging threat to the trustability of machine learning. Understanding these attacks is becoming a crucial task. We propose a new vision on neural network robustness using Riemannian geometry and foliation theory, and create a new adversarial attack by taking into account the curvature of the data space. This new adversarial attack called the "dog-leg attack" is a two-step approximation of a geodesic in the data space. The data space is treated as a (pseudo) Riemannian manifold equipped with the pullback of the Fisher Information Metric (FIM) of the neural network. In most cases, this metric is only semi-definite and its kernel becomes a central object to study. A canonical foliation is derived from this kernel. The curvature of the foliation's leaves gives the appropriate correction to get a two-step approximation of the geodesic and hence a new efficient adversarial attack. Our attack is tested on a toy example, a neural network trained to mimic the $\texttt{Xor}$ function, and demonstrates better results that the state of the art attack presented by Zhao et al. (2019).

Knowledge sharing and model personalization are two key components to impact the performance of personalized federated learning (PFL). Existing PFL methods simply treat knowledge sharing as an aggregation of all clients regardless of the hidden relations among them. This paper is to enhance the knowledge-sharing process in PFL by leveraging the structural information among clients. We propose a novel structured federated learning(SFL) framework to simultaneously learn the global model and personalized model using each client's local relations with others and its private dataset. This proposed framework has been formulated to a new optimization problem to model the complex relationship among personalized models and structural topology information into a unified framework. Moreover, in contrast to a pre-defined structure, our framework could be further enhanced by adding a structure learning component to automatically learn the structure using the similarities between clients' models' parameters. By conducting extensive experiments, we first demonstrate how federated learning can be benefited by introducing structural information into the server aggregation process with a real-world dataset, and then the effectiveness of the proposed method has been demonstrated in varying degrees of data non-iid settings.

We consider a quantum version of the famous low-rank approximation problem. Specifically, we consider the distance $D(\rho,\sigma)$ between two normalized quantum states, $\rho$ and $\sigma$, where the rank of $\sigma$ is constrained to be at most $R$. For both the trace distance and Hilbert-Schmidt distance, we analytically solve for the optimal state $\sigma$ that minimizes this distance. For the Hilbert-Schmidt distance, the unique optimal state is $\sigma = \tau_R +N_R$, where $\tau_R = \Pi_R \rho \Pi_R$ is given by projecting $\rho$ onto its $R$ principal components with projector $\Pi_R$, and $N_R$ is a normalization factor given by $N_R = \frac{1- \text{Tr}(\tau_R)}{R}\Pi_R$. For the trace distance, this state is also optimal but not uniquely optimal, and we provide the full set of states that are optimal. We briefly discuss how our results have application for performing principal component analysis (PCA) via variational optimization on quantum computers.

Simulations of high energy density physics are expensive, largely in part for the need to produce non-local thermodynamic equilibrium opacities. High-fidelity spectra may reveal new physics in the simulations not seen with low-fidelity spectra, but the cost of these simulations also scale with the level of fidelity of the opacities being used. Neural networks are capable of reproducing these spectra, but neural networks need data to to train them which limits the level of fidelity of the training data. This paper demonstrates that it is possible to reproduce high-fidelity spectra with median errors in the realm of 3\% to 4\% using as few as 50 samples of high-fidelity Krypton data by performing transfer learning on a neural network trained on many times more low-fidelity data.

Formal verification has emerged as a powerful approach to ensure the safety and reliability of deep neural networks. However, current verification tools are limited to only a handful of properties that can be expressed as first-order constraints over the inputs and output of a network. While adversarial robustness and fairness fall under this category, many real-world properties (e.g., "an autonomous vehicle has to stop in front of a stop sign") remain outside the scope of existing verification technology. To mitigate this severe practical restriction, we introduce a novel framework for verifying neural networks, named neuro-symbolic verification. The key idea is to use neural networks as part of the otherwise logical specification, enabling the verification of a wide variety of complex, real-world properties, including the one above. Moreover, we demonstrate how neuro-symbolic verification can be implemented on top of existing verification infrastructure for neural networks, making our framework easily accessible to researchers and practitioners alike.  ( 2 min )

Protein structure prediction is an important method for understanding gene translation and protein function in the domain of structural biology. AlphaFold introduced the Transformer model to the field of protein structure prediction with atomic accuracy. However, training and inference of the AlphaFold model are time-consuming and expensive because of the special performance characteristics and huge memory consumption. In this paper, we propose FastFold, a highly efficient implementation of protein structure prediction model for training and inference. FastFold includes a series of GPU optimizations based on a thorough analysis of AlphaFold's performance. Meanwhile, with \textit{Dynamic Axial Parallelism} and \textit{Duality Async Operation}, FastFold achieves high model parallelism scaling efficiency, surpassing existing popular model parallelism techniques. Experimental results show that FastFold reduces overall training time from 11 days to 67 hours and achieves $7.5\sim9.5\times$ speedup for long-sequence inference. Furthermore, We scaled FastFold to 512 GPUs and achieved an aggregate of 6.02 PetaFLOPs with 90.1\% parallel efficiency. The implementation can be found at https://github.com/hpcaitech/FastFold.  ( 2 min )

Convolutional neural networks (CNNs) and transformers, which are composed of multiple processing layers and blocks to learn the representations of data with multiple abstract levels, are the most successful machine learning models in recent years. However, millions of parameters and many blocks make them difficult to be trained, and sometimes several days or weeks are required to find an ideal architecture or tune the parameters. Within this paper, we propose a new algorithm for boosting Deep Convolutional Neural Networks (BoostCNN) to combine the merits of dynamic feature selection and BoostCNN, and another new family of algorithms combining boosting and transformers. To learn these new models, we introduce subgrid selection and importance sampling strategies and propose a set of algorithms to incorporate boosting weights into a deep learning architecture based on a least squares objective function. These algorithms not only reduce the required manual effort for finding an appropriate network architecture but also result in superior performance and lower running time. Experiments show that the proposed methods outperform benchmarks on several fine-grained classification tasks.  ( 2 min )

Learning a parametric model of a data distribution is a well-known statistical problem that has seen renewed interest as it is brought to scale in deep learning. Framing the problem as a self-supervised task, where data samples are discriminated from noise samples, is at the core of state-of-the-art methods, beginning with Noise-Contrastive Estimation (NCE). Yet, such contrastive learning requires a good noise distribution, which is hard to specify; domain-specific heuristics are therefore widely used. While a comprehensive theory is missing, it is widely assumed that the optimal noise should in practice be made equal to the data, both in distribution and proportion. This setting underlies Generative Adversarial Networks (GANs) in particular. Here, we empirically and theoretically challenge this assumption on the optimal noise. We show that deviating from this assumption can actually lead to better statistical estimators, in terms of asymptotic variance. In particular, the optimal noise distribution is different from the data's and even from a different family.  ( 2 min )

Exploration versus exploitation dilemma is a significant problem in reinforcement learning (RL), particularly in complex environments with large state space and sparse rewards. When optimizing for a particular goal, running simple smaller tasks can often be a good way to learn additional information about the environment. Exploration methods have been used to sample better trajectories from the environment for improved performance while auxiliary tasks have been incorporated generally where the reward is sparse. If there is little reward signal available, the agent requires clever exploration strategies to reach parts of the state space that contain relevant sub-goals. However, that exploration needs to be balanced with the need for exploiting the learned policy. This paper explores the idea of combining exploration with auxiliary task learning using General Value Functions (GVFs) and a directed exploration strategy. We provide a simple way to learn options (sequences of actions) instead of having to handcraft them, and demonstrate the performance advantage in three navigation tasks.  ( 2 min )

The state-of-the-art Mixture-of-Experts (short as MoE) architecture has achieved several remarkable successes in terms of increasing model capacity. However, MoE has been hindered widespread adoption due to complexity, communication costs, and training instability. Here we present a novel MoE architecture based on matrix product operators (MPO) from quantum many-body physics. It can decompose an original matrix into central tensors (containing the core information) and auxiliary tensors (with only a small proportion of parameters). With the decomposed MPO structure, we can reduce the parameters of the original MoE architecture by sharing a global central tensor across experts and keeping expert-specific auxiliary tensors. We also design the gradient mask strategy for the tensor structure of MPO to alleviate the overfitting problem. Experiments on the three well-known downstream natural language datasets based on GPT2 show improved performance and efficiency in increasing model capacity (7.26x fewer parameters with the same amount of experts). We additionally demonstrate an improvement in the positive transfer effects of our approach for multi-task learning.  ( 2 min )

In the Reinforcement Learning (RL) framework, the learning is guided through a reward signal. This means that in situations of sparse rewards the agent has to focus on exploration, in order to discover which action, or set of actions leads to the reward. RL agents usually struggle with this. Exploration is the focus of Quality-Diversity (QD) methods. In this thesis, we approach the problem of sparse rewards with these algorithms, and in particular with Novelty Search (NS). This is a method that only focuses on the diversity of the possible policies behaviors. The first part of the thesis focuses on learning a representation of the space in which the diversity of the policies is evaluated. In this regard, we propose the TAXONS algorithm, a method that learns a low-dimensional representation of the search space through an AutoEncoder. While effective, TAXONS still requires information on when to capture the observation used to learn said space. For this, we study multiple ways, and in particular the signature transform, to encode information about the whole trajectory of observations. The thesis continues with the introduction of the SERENE algorithm, a method that can efficiently focus on the interesting parts of the search space. This method separates the exploration of the search space from the exploitation of the reward through a two-alternating-steps approach. The exploration is performed through NS. Any discovered reward is then locally exploited through emitters. The third and final contribution combines TAXONS and SERENE into a single approach: STAX. Throughout this thesis, we introduce methods that lower the amount of prior information needed in sparse rewards settings. These contributions are a promising step towards the development of methods that can autonomously explore and find high-performance policies in a variety of sparse rewards settings.  ( 2 min )

We present the Learning for KinoDynamic Tree Expansion (L4KDE) method for kinodynamic planning. Tree-based planning approaches, such as rapidly exploring random tree (RRT), are the dominant approach to finding globally optimal plans in continuous state-space motion planning. Central to these approaches is tree-expansion, the procedure in which new nodes are added into an ever-expanding tree. We study the kinodynamic variants of tree-based planning, where we have known system dynamics and kinematic constraints. In the interest of quickly selecting nodes to connect newly sampled coordinates, existing methods typically cannot optimise to find nodes which have low cost to transition to sampled coordinates. Instead they use metrics like Euclidean distance between coordinates as a heuristic for selecting candidate nodes to connect to the search tree. We propose L4KDE to address this issue. L4KDE uses a neural network to predict transition costs between queried states, which can be efficiently computed in batch, providing much higher quality estimates of transition cost compared to commonly used heuristics while maintaining almost-surely asymptotic optimality guarantee. We empirically demonstrate the significant performance improvement provided by L4KDE on a variety of challenging system dynamics, with the ability to generalise across different instances of the same model class, and in conjunction with a suite of modern tree-based motion planners.  ( 2 min )

Entity alignment, aiming to identify equivalent entities across different knowledge graphs (KGs), is a fundamental problem for constructing Web-scale KGs. Over the course of its development, the label supervision has been considered necessary for accurate alignments. Inspired by the recent progress of self-supervised learning, we explore the extent to which we can get rid of supervision for entity alignment. Commonly, the label information (positive entity pairs) is used to supervise the process of pulling the aligned entities in each positive pair closer. However, our theoretical analysis suggests that the learning of entity alignment can actually benefit more from pushing unlabeled negative pairs far away from each other than pulling labeled positive pairs close. By leveraging this discovery, we develop the self-supervised learning objective for entity alignment. We present SelfKG with efficient strategies to optimize this objective for aligning entities without label supervision. Extensive experiments on benchmark datasets demonstrate that SelfKG without supervision can match or achieve comparable results with state-of-the-art supervised baselines. The performance of SelfKG suggests that self-supervised learning offers great potential for entity alignment in KGs. The code and data are available at https://github.com/THUDM/SelfKG.  ( 2 min )

Short-term load forecasting (STLF) is a challenging problem due to the complex nature of the time series expressing multiple seasonality and varying variance. This paper proposes an extension of a hybrid forecasting model combining exponential smoothing and dilated recurrent neural network (ES-dRNN) with a mechanism for dynamic attention. We propose a new gated recurrent cell -- attentive dilated recurrent cell, which implements an attention mechanism for dynamic weighting of input vector components. The most relevant components are assigned greater weights, which are subsequently dynamically fine-tuned. This attention mechanism helps the model to select input information and, along with other mechanisms implemented in ES-dRNN, such as adaptive time series processing, cross-learning, and multiple dilation, leads to a significant improvement in accuracy when compared to well-established statistical and state-of-the-art machine learning forecasting models. This was confirmed in the extensive experimental study concerning STLF for 35 European countries.  ( 2 min )

We present simple methods for out-of-distribution detection using a trained generative model. These techniques, based on classical statistical tests, are model-agnostic in the sense that they can be applied to any differentiable generative model. The idea is to combine a classical parametric test (Rao's score test) with the recently introduced typicality test. These two test statistics are both theoretically well-founded and exploit different sources of information based on the likelihood for the typicality test and its gradient for the score test. We show that combining them using Fisher's method overall leads to a more accurate out-of-distribution test. We also discuss the benefits of casting out-of-distribution detection as a statistical testing problem, noting in particular that false positive rate control can be valuable for practical out-of-distribution detection. Despite their simplicity and generality, these methods can be competitive with model-specific out-of-distribution detection algorithms without any assumptions on the out-distribution.  ( 2 min )

Continual Learning (CL) is the research field addressing learning settings where the data distribution is not static. This paper studies spurious features' influence on continual learning algorithms. Indeed, we show that learning algorithms solve tasks by overfitting features that are not generalizable. To better understand these phenomena and their impact, we propose a domain incremental scenario that we study through various out-of-distribution generalizations and continual learning algorithms. The experiments of this paper show that continual learning algorithms face two related challenges: (1) the spurious features challenge: some features are well correlated with labels in train data but not in test data due to a covariate shift between train and test. (2) the local spurious features challenge: some features correlate well with labels within a task but not within the whole task sequence. The challenge is to learn general features that are neither spurious (in general) nor locally spurious. We prove that the latter is a major cause of performance decrease in continual learning along with catastrophic forgetting. Our results indicate that the best solution to overcome the feature selection problems varies depending on the correlation between spurious features (SFs) and labels. The vanilla replay approach seems to be a powerful approach to deal with SFs, which could explain its good performance in the continual learning literature. This paper presents a different way of understanding performance decrease in continual learning by describing the influence of spurious/local spurious features.  ( 2 min )

Density peaks clustering has become a nova of clustering algorithm because of its simplicity and practicality. However, there is one main drawback: it is time-consuming due to its high computational complexity. Herein, a density peaks clustering algorithm with sparse search and K-d tree is developed to solve this problem. Firstly, a sparse distance matrix is calculated by using K-d tree to replace the original full rank distance matrix, so as to accelerate the calculation of local density. Secondly, a sparse search strategy is proposed to accelerate the computation of relative-separation with the intersection between the set of k nearest neighbors and the set consisting of the data points with larger local density for any data point. Furthermore, a second-order difference method for decision values is adopted to determine the cluster centers adaptively. Finally, experiments are carried out on datasets with different distribution characteristics, by comparing with other five typical clustering algorithms. It is proved that the algorithm can effectively reduce the computational complexity. Especially for larger datasets, the efficiency is elevated more remarkably. Moreover, the clustering accuracy is also improved to a certain extent. Therefore, it can be concluded that the overall performance of the newly proposed algorithm is excellent.  ( 2 min )

Although latent factor models (e.g., matrix factorization) obtain good performance in predictions, they suffer from several problems including cold-start, non-transparency, and suboptimal recommendations. In this paper, we employ text with side data to tackle these limitations. We introduce a hybrid generative probabilistic model that combines a neural network with a latent topic model, which is a four-level hierarchical Bayesian model. In the model, each document is modeled as a finite mixture over an underlying set of topics and each topic is modeled as an infinite mixture over an underlying set of topic probabilities. Furthermore, each topic probability is modeled as a finite mixture over side data. In the context of text, the neural network provides an overview distribution about side data for the corresponding text, which is the prior distribution in LDA to help perform topic grouping. The approach is evaluated on several different datasets, where the model is shown to outperform standard LDA and Dirichlet-multinomial regression (DMR) in terms of topic grouping, model perplexity, classification and comment generation.  ( 2 min )

Big data streams are possibly one of the most essential underlying notions. However, data streams are often challenging to handle owing to their rapid pace and limited information lifetime. It is difficult to collect and communicate stream samples while storing, transmitting and computing a function across the whole stream or even a large segment of it. In answer to this research issue, many streaming-specific solutions were developed. Stream techniques imply a limited capacity of one or more resources such as computing power and memory, as well as time or accuracy limits. Reservoir sampling algorithms choose and store results that are probabilistically significant. A weighted random sampling approach using a generalised sampling algorithmic framework to detect unique events is the key research goal of this work. Briefly, a gradually developed estimate of the joint stream distribution across all feasible components keeps k stream elements judged representative for the full stream. Once estimate confidence is high, k samples are chosen evenly. The complexity is O(min(k,n-k)), where n is the number of items inspected. Due to the fact that events are usually considered outliers, it is sufficient to extract element patterns and push them to an alternate version of k-means as proposed here. The suggested technique calculates the sum of squared errors (SSE) for each cluster, and this is utilised not only as a measure of convergence, but also as a quantification and an indirect assessment of the element distribution's approximation accuracy. This clustering enables for the detection of outliers in the stream based on their distance from the usual event centroids. The findings reveal that weighted sampling and res-means outperform typical approaches for stream event identification. Detected events are shown as knowledge graphs, along with typical clusters of events.  ( 2 min )

Phylogenetics is a classical methodology in computational biology that today has become highly relevant for medical investigation of single-cell data, e.g., in the context of development of cancer. The exponential size of the tree space is unfortunately a formidable obstacle for current Bayesian phylogenetic inference using Markov chain Monte Carlo based methods since these rely on local operations. And although more recent variational inference (VI) based methods offer speed improvements, they rely on expensive auto-differentiation operations for learning the variational parameters. We propose VaiPhy, a remarkably fast VI based algorithm for approximate posterior inference in an augmented tree space. VaiPhy produces marginal log-likelihood estimates on par with the state-of-the-art methods on real data, and is considerably faster since it does not require auto-differentiation. Instead, VaiPhy combines coordinate ascent update equations with two novel sampling schemes: (i) SLANTIS, a proposal distribution for tree topologies in the augmented tree space, and (ii) the JC sampler, the, to the best of our knowledge, first ever scheme for sampling branch lengths directly from the popular Jukes-Cantor model. We compare VaiPhy in terms of density estimation and runtime. Additionally, we evaluate the reproducibility of the baselines. We provide our code on GitHub: https://github.com/Lagergren-Lab/VaiPhy.  ( 2 min )

Over the decade since deep neural networks became state of the art image classifiers there has been a tendency towards less use of max pooling: the function that takes the largest of nearby pixels in an image. Since max pooling featured prominently in earlier generations of image classifiers, we wish to understand this trend, and whether it is justified. We develop a theoretical framework analyzing ReLU based approximations to max pooling, and prove a sense in which max pooling cannot be efficiently replicated using ReLU activations. We analyze the error of a class of optimal approximations, and find that whilst the error can be made exponentially small in the kernel size, doing so requires an exponentially complex approximation. Our work gives a theoretical basis for understanding the trend away from max pooling in newer architectures. We conclude that the main cause of a difference between max pooling and an optimal approximation, a prevalent large difference between the max and other values within pools, can be overcome with other architectural decisions, or is not prevalent in natural images.  ( 2 min )

In membership inference attacks (MIAs), an adversary observes the predictions of a model to determine whether a sample is part of the model's training data. Existing MIA defenses conceal the presence of a target sample through strong regularization, knowledge distillation, confidence masking, or differential privacy. We propose MIAShield, a new MIA defense based on preemptive exclusion of member samples instead of masking the presence of a member. The key insight in MIAShield is weakening the strong membership signal that stems from the presence of a target sample by preemptively excluding it at prediction time without compromising model utility. To that end, we design and evaluate a suite of preemptive exclusion oracles leveraging model-confidence, exact or approximate sample signature, and learning-based exclusion of member data points. To be practical, MIAShield splits a training data into disjoint subsets and trains each subset to build an ensemble of models. The disjointedness of subsets ensures that a target sample belongs to only one subset, which isolates the sample to facilitate the preemptive exclusion goal. We evaluate MIAShield on three benchmark image classification datasets. We show that MIAShield effectively mitigates membership inference (near random guess) for a wide range of MIAs, achieves far better privacy-utility trade-off compared with state-of-the-art defenses, and remains resilient against an adaptive adversary.  ( 2 min )

Cross entropy (CE) loss integrated with softmax is an orthodox component in most classification-based frameworks, but it fails to obtain an accurate probability distribution of predicted scores that is critical for further decision-making of poor-classified samples. The prediction score calibration provides a solution to learn the distribution of predicted scores which can explicitly make the model obtain a discriminative representation. Considering the entropy function can be utilized to measure the uncertainty of predicted scores. But, the gradient variation of it is not in line with the expectations of model optimization. To this end, we proposed a general Gaussian Score Calibrating (GSC) loss to calibrate the predicted scores produced by the deep neural networks (DNN). Extensive experiments on over 10 benchmark datasets demonstrate that the proposed GSC loss can yield consistent and significant performance boosts in a variety of visual tasks. Notably, our label-independent GSC loss can be embedded into common improved methods based on the CE loss easily.  ( 2 min )

Bilevel optimization has found extensive applications in modern machine learning problems such as hyperparameter optimization, neural architecture search, meta-learning, etc. While bilevel problems with a unique inner minimal point (e.g., where the inner function is strongly convex) are well understood, bilevel problems with multiple inner minimal points remains to be a challenging and open problem. Existing algorithms designed for such a problem were applicable to restricted situations and do not come with the full guarantee of convergence. In this paper, we propose a new approach, which convert the bilevel problem to an equivalent constrained optimization, and then the primal-dual algorithm can be used to solve the problem. Such an approach enjoys a few advantages including (a) addresses the multiple inner minima challenge; (b) features fully first-order efficiency without involving second-order Hessian and Jacobian computations, as opposed to most existing gradient-based bilevel algorithms; (c) admits the convergence guarantee via constrained nonconvex optimization. Our experiments further demonstrate the desired performance of the proposed approach.

Cultural transmission is the domain-general social skill that allows agents to acquire and use information from each other in real-time with high fidelity and recall. In humans, it is the inheritance process that powers cumulative cultural evolution, expanding our skills, tools and knowledge across generations. We provide a method for generating zero-shot, high recall cultural transmission in artificially intelligent agents. Our agents succeed at real-time cultural transmission from humans in novel contexts without using any pre-collected human data. We identify a surprisingly simple set of ingredients sufficient for generating cultural transmission and develop an evaluation methodology for rigorously assessing it. This paves the way for cultural evolution as an algorithm for developing artificial general intelligence.

In the context of Earth observation, the detection of changes is performed from multitemporal images acquired by sensors with possibly different characteristics and modalities. Even when restricting to the optical modality, this task has proved to be challenging as soon as the sensors provide images of different spatial and/or spectral resolutions. This paper proposes a novel unsupervised change detection method dedicated to such so-called heterogeneous optical images. This method capitalizes on recent advances which frame the change detection problem into a robust fusion framework. More precisely, we show that a deep adversarial network designed and trained beforehand to fuse a pair of multiband images can be easily complemented by a network with the same architecture to perform change detection. The resulting overall architecture itself follows an adversarial strategy where the fusion network and the additional network are interpreted as essential building blocks of a generator. A comparison with state-of-the-art change detection methods demonstrate the versatility and the effectiveness of the proposed approach.

Theoretical uncertainty limits our ability to extract cosmological information from baryonic fields such as the thermal Sunyaev-Zel'dovich (tSZ) effect. Being sourced by the electron pressure field, the tSZ effect depends on baryonic physics that is usually modeled by expensive hydrodynamic simulations. We train neural networks on the IllustrisTNG-300 cosmological simulation to predict the continuous electron pressure field in galaxy clusters from gravity-only simulations. Modeling clusters is challenging for neural networks as most of the gas pressure is concentrated in a handful of voxels and even the largest hydrodynamical simulations contain only a few hundred clusters that can be used for training. Instead of conventional convolutional neural net (CNN) architectures, we choose to employ a rotationally equivariant DeepSets architecture to operate directly on the set of dark matter particles. We argue that set-based architectures provide distinct advantages over CNNs. For example, we can enforce exact rotational and permutation equivariance, incorporate existing knowledge on the tSZ field, and work with sparse fields as are standard in cosmology. We compose our architecture with separate, physically meaningful modules, making it amenable to interpretation. For example, we can separately study the influence of local and cluster-scale environment, determine that cluster triaxiality has negligible impact, and train a module that corrects for mis-centering. Our model improves by 70 % on analytic profiles fit to the same simulation data. We argue that the electron pressure field, viewed as a function of a gravity-only simulation, has inherent stochasticity, and model this property through a conditional-VAE extension to the network. This modification yields further improvement by 7 %, it is limited by our small training set however. (abridged)  ( 3 min )

We study the problem of tolerant adversarial PAC learning with respect to metric perturbation sets. In adversarial PAC learning, an adversary is allowed to replace a test point $x$ with an arbitrary point in a closed ball of radius $r$ centered at $x$. In the tolerant version, the error of the learner is compared with the best achievable error with respect to a slightly larger perturbation radius $(1+\gamma)r$. For perturbation sets with doubling dimension $d$, we show that a variant of the natural ``perturb-and-smooth'' algorithm PAC learns any hypothesis class $\mathcal{H}$ with VC dimension $v$ in the $\gamma$-tolerant adversarial setting with $O\left(\frac{v(1+1/\gamma)^{O(d)}}{\varepsilon}\right)$ samples. This is the first such general guarantee with linear dependence on $v$ even for the special case where the domain is the real line and the perturbation sets are closed balls (intervals) of radius $r$. However, the proposed guarantees for the perturb-and-smooth algorithm currently only hold in the tolerant robust realizable setting and exhibit exponential dependence on $d$. We additionally propose an alternative learning method which yields sample complexity bounds with only linear dependence on the doubling dimension even in the more general agnostic case. This approach is based on sample compression.

Graph isomorphism testing is usually approached via the comparison of graph invariants. Two popular alternatives that offer a good trade-off between expressive power and computational efficiency are combinatorial (i.e., obtained via the Weisfeiler-Leman (WL) test) and spectral invariants. While the exact power of the latter is still an open question, the former is regularly criticized for its limited power, when a standard configuration of uniform pre-coloring is used. This drawback hinders the applicability of Message Passing Graph Neural Networks (MPGNNs), whose expressive power is upper bounded by the WL test. Relaxing the assumption of uniform pre-coloring, we show that one can increase the expressive power of the WL test ad infinitum. Following that, we propose an efficient pre-coloring based on spectral features that provably increase the expressive power of the vanilla WL test. The above claims are accompanied by extensive synthetic and real data experiments. The code to reproduce our experiments is available at https://github.com/TPFI22/Spectral-and-Combinatorial  ( 2 min )

State-of-the-art deep learning methods achieve human-like performance on many tasks, but make errors nevertheless. Characterizing these errors in easily interpretable terms gives insight into whether a classifier is prone to making systematic errors, but also gives a way to act and improve the classifier. We propose to discover those feature-value combinations (ie. patterns) that strongly correlate with correct resp. erroneous predictions to obtain a global and interpretable description for arbitrary classifiers. We show this is an instance of the more general label description problem, which we formulate in terms of the Minimum Description Length principle. To discover a good pattern set, we develop the efficient Premise algorithm. Through an extensive set of experiments we show it performs very well in practice on both synthetic and real-world data. Unlike existing solutions, it ably recovers ground truth patterns, even on highly imbalanced data over many features. Through two case studies on Visual Question Answering and Named Entity Recognition, we confirm that Premise gives clear and actionable insight into the systematic errors made by modern NLP classifiers.  ( 2 min )

Humans race drones faster than neural networks trained for end-to-end autonomous flight. This may be related to the ability of human pilots to select task-relevant visual information effectively. This work investigates whether neural networks capable of imitating human eye gaze behavior and attention can improve neural network performance for the challenging task of vision-based autonomous drone racing. We hypothesize that gaze-based attention prediction can be an efficient mechanism for visual information selection and decision making in a simulator-based drone racing task. We test this hypothesis using eye gaze and flight trajectory data from 18 human drone pilots to train a visual attention prediction model. We then use this visual attention prediction model to train an end-to-end controller for vision-based autonomous drone racing using imitation learning. We compare the drone racing performance of the attention-prediction controller to those using raw image inputs and image-based abstractions (i.e., feature tracks). Comparing success rates for completing a challenging race track by autonomous flight, our results show that the attention-prediction based controller (88% success rate) outperforms the RGB-image (61% success rate) and feature-tracks (55% success rate) controller baselines. Furthermore, visual attention-prediction and feature-track based models showed better generalization performance than image-based models when evaluated on hold-out reference trajectories. Our results demonstrate that human visual attention prediction improves the performance of autonomous vision-based drone racing agents and provides an essential step towards vision-based, fast, and agile autonomous flight that eventually can reach and even exceed human performances.

Pretraining language models with next-token prediction on massive text corpora has delivered phenomenal zero-shot, few-shot, transfer learning and multi-tasking capabilities on both generative and discriminative language tasks. Motivated by this success, we explore a Vector-quantized Image Modeling (VIM) approach that involves pretraining a Transformer to predict rasterized image tokens autoregressively. The discrete image tokens are encoded from a learned Vision-Transformer-based VQGAN (ViT-VQGAN). We first propose multiple improvements over vanilla VQGAN from architecture to codebook learning, yielding better efficiency and reconstruction fidelity. The improved ViT-VQGAN further improves vector-quantized image modeling tasks, including unconditional, class-conditioned image generation and unsupervised representation learning. When trained on ImageNet at 256x256 resolution, we achieve Inception Score (IS) of 175.1 and Fr'echet Inception Distance (FID) of 4.17, a dramatic improvement over the vanilla VQGAN, which obtains 70.6 and 17.04 for IS and FID, respectively. Based on ViT-VQGAN and unsupervised pretraining, we further evaluate the pretrained Transformer by averaging intermediate features, similar to Image GPT (iGPT). This ImageNet-pretrained VIM-L significantly beats iGPT-L on linear-probe accuracy from 60.3% to 72.2% for a similar model size. ViM-L also outperforms iGPT-XL which is trained with extra web image data and larger model size.

Subspace optimization methods have the attractive property of reducing large-scale optimization problems to a sequence of low-dimensional subspace optimization problems. However, existing subspace optimization frameworks adopt a fixed update policy of the subspace and therefore appear to be sub-optimal. In this paper, we propose a new \emph{Meta Subspace Optimization} (MSO) framework for large-scale optimization problems, which allows to determine the subspace matrix at each optimization iteration. In order to remain invariant to the optimization problem's dimension, we design an \emph{efficient} meta optimizer based on very low-dimensional subspace optimization coefficients, inducing a rule-based method that can significantly improve performance. Finally, we design and analyze a reinforcement learning (RL) procedure based on the subspace optimization dynamics whose learnt policies outperform existing subspace optimization methods.

When using machine learning techniques in decision-making processes, the interpretability of the models is important. In the present paper, we adopted the Shapley additive explanation (SHAP), which is based on fair profit allocation among many stakeholders depending on their contribution, for interpreting a gradient-boosting decision tree model using hospital data. For better interpretability, we propose two novel techniques as follows: (1) a new metric of feature importance using SHAP and (2) a technique termed feature packing, which packs multiple similar features into one grouped feature to allow an easier understanding of the model without reconstruction of the model. We then compared the explanation results between the SHAP framework and existing methods. In addition, we showed how the A/G ratio works as an important prognostic factor for cerebral infarction using our hospital data and proposed techniques.

Reinforcement Learning (RL) is one of the most dynamic research areas in Game AI and AI as a whole, and a wide variety of games are used as its prominent test problems. However, it is subject to the replicability crisis that currently affects most algorithmic AI research. Benchmarking in Reinforcement Learning could be improved through verifiable results. There are numerous benchmark environments whose scores are used to compare different algorithms, such as Atari. Nevertheless, reviewers must trust that figures represent truthful values, as it is difficult to reproduce an exact training curve. We propose improving this situation by providing access to the original experimental data to validate study results. To that end, we rely on the concept of minimal traces. These allow re-simulation of action sequences in deterministic RL environments and, in turn, enable reviewers to verify, re-use, and manually inspect experimental results without needing large compute clusters. It also permits validation of presented reward graphs, an inspection of individual episodes, and re-use of result data (baselines) for proper comparison in follow-up papers. We offer plug-and-play code that works with Gym so that our measures fit well in the existing RL and reproducibility eco-system. Our approach is freely available, easy to use, and adds minimal overhead, as minimal traces allow a data compression ratio of up to $\approx 10^4:1$ (94GB to 8MB for Atari Pong) compared to a regular MDP trace used in offline RL datasets. The paper presents proof-of-concept results for a variety of games.

The success of recurrent neural networks (RNNs) has been demonstrated in many applications related to turbulence, including flow control, optimization, turbulent features reproduction as well as turbulence prediction and modeling. With this study we aim to assess the capability of these networks to reproduce the temporal evolution of a minimal turbulent channel flow. We first obtain a data-driven model based on a modal decomposition in the Fourier domain (which we denote as FFT-POD) of the time series sampled from the flow. This particular case of turbulent flow allows us to accurately simulate the most relevant coherent structures close to the wall. Long-short-term-memory (LSTM) networks and a Koopman-based framework (KNF) are trained to predict the temporal dynamics of the minimal-channel-flow modes. Tests with different configurations highlight the limits of the KNF method compared to the LSTM, given the complexity of the flow under study. Long-term prediction for LSTM show excellent agreement from the statistical point of view, with errors below 2% for the best models with respect to the reference. Furthermore, the analysis of the chaotic behaviour through the use of the Lyapunov exponents and of the dynamic behaviour through Poincar\'e maps emphasizes the ability of the LSTM to reproduce the temporal dynamics of turbulence. Alternative reduced-order models (ROMs), based on the identification of different turbulent structures, are explored and they continue to show a good potential in predicting the temporal dynamics of the minimal channel.

Anti-cancer drug discoveries have been serendipitous, we sought to present the Open Molecular Graph Learning Benchmark, named CandidateDrug4Cancer, a challenging and realistic benchmark dataset to facilitate scalable, robust, and reproducible graph machine learning research for anti-cancer drug discovery. CandidateDrug4Cancer dataset encompasses multiple most-mentioned 29 targets for cancer, covering 54869 cancer-related drug molecules which are ranged from pre-clinical, clinical and FDA-approved. Besides building the datasets, we also perform benchmark experiments with effective Drug Target Interaction (DTI) prediction baselines using descriptors and expressive graph neural networks. Experimental results suggest that CandidateDrug4Cancer presents significant challenges for learning molecular graphs and targets in practical application, indicating opportunities for future researches on developing candidate drugs for treating cancers.

Automatic passenger counting (APC) in public transportation has been approached with various machine learning and artificial intelligence methods since its introduction in the 1970s. While equivalence testing is becoming more popular than difference detection (Student's t-test), the former is much more difficult to pass to ensure low user risk. On the other hand, recent developments in artificial intelligence have led to algorithms that promise much higher counting quality (lower bias). However, gradient-based methods (including Deep Learning) have one limitation: they typically run into local optima. In this work, we explore and exploit various aspects of machine learning to increase reliability, performance, and counting quality. We perform a grid search with several fundamental parameters: the selection and size of the training set, which is similar to cross-validation, and the initial network weights and randomness during the training process. Using this experiment, we show how aggregation techniques such as ensemble quantiles can reduce bias, and we give an idea of the overall spread of the results. We utilize the test success chance, a simulative metric based on the empirical distribution. We also employ a post-training Monte Carlo quantization approach and introduce cumulative summation to turn counting into a stationary method and allow unbounded counts.

Existing learning from demonstration algorithms usually assume access to expert demonstrations. However, this assumption is limiting in many real-world applications since the collected demonstrations may be suboptimal or even consist of failure cases. We therefore study the problem of learning from imperfect demonstrations by learning a confidence predictor. Specifically, we rely on demonstrations along with their confidence values from a different correspondent environment (source environment) to learn a confidence predictor for the environment we aim to learn a policy in (target environment -- where we only have unlabeled demonstrations.) We learn a common latent space through adversarial distribution matching of multi-length partial trajectories to enable the transfer of confidence across source and target environments. The learned confidence reweights the demonstrations to enable learning more from informative demonstrations and discarding the irrelevant ones. Our experiments in three simulated environments and a real robot reaching task demonstrate that our approach learns a policy with the highest expected return.  ( 2 min )

As industrial systems become more complex and monitoring sensors for everything from surveillance to our health become more ubiquitous, multivariate time series prediction is taking an important place in the smooth-running of our society. A recurrent neural network with attention to help extend the prediction windows is the current-state-of-the-art for this task. However, we argue that their vanishing gradients, short memories, and serial architecture make RNNs fundamentally unsuited to long-horizon forecasting with complex data. Temporal convolutional networks (TCNs) do not suffer from gradient problems and they support parallel calculations, making them a more appropriate choice. Additionally, they have longer memories than RNNs, albeit with some instability and efficiency problems. Hence, we propose a framework, called PSTA-TCN, that combines a parallel spatio-temporal attention mechanism to extract dynamic internal correlations with stacked TCN backbones to extract features from different window sizes. The framework makes full use parallel calculations to dramatically reduce training times, while substantially increasing accuracy with stable prediction windows up to 13 times longer than the status quo.  ( 2 min )

Shapley values, which were originally designed to assign attributions to individual players in coalition games, have become a commonly used approach in explainable machine learning to provide attributions to input features for black-box machine learning models. A key attraction of Shapley values is that they uniquely satisfy a very natural set of axiomatic properties. However, extending the Shapley value to assigning attributions to interactions rather than individual players, an interaction index, is non-trivial: as the natural set of axioms for the original Shapley values, extended to the context of interactions, no longer specify a unique interaction index. Many proposals thus introduce additional less "natural" axioms, while sacrificing the key axiom of efficiency, in order to obtain unique interaction indices. In this work, rather than introduce additional conflicting axioms, we adopt the viewpoint of Shapley values as coefficients of the most faithful linear approximation to the pseudo-Boolean coalition game value function. By extending linear to $\ell$-order polynomial approximations, we can then define the general family of faithful interaction indices}. We show that by additionally requiring the faithful interaction indices to satisfy interaction-extensions of the standard individual Shapley axioms (dummy, symmetry, linearity, and efficiency), we obtain a unique FaithfulShapley Interaction index, which we denote Faith-Shap, as a natural generalization of the Shapley value to interactions. We then provide some illustrative contrasts of Faith-Shap with previously proposed interaction indices, and further investigate some of its interesting algebraic properties. We further show the computational efficiency of computing Faith-Shap, together with some additional qualitative insights, via some illustrative experiments.  ( 2 min )

In this work we develop a generalizable and efficient Neural Radiance Field (NeRF) pipeline for high-fidelity free-viewpoint human body synthesis under settings with sparse camera views. Though existing NeRF-based methods can synthesize rather realistic details for human body, they tend to produce poor results when the input has self-occlusion, especially for unseen humans under sparse views. Moreover, these methods often require a large number of sampling points for rendering, which leads to low efficiency and limits their real-world applicability. To address these challenges, we propose a Geometry-guided Progressive NeRF~(GP-NeRF). In particular, to better tackle self-occlusion, we devise a geometry-guided multi-view feature integration approach that utilizes the estimated geometry prior to integrate the incomplete information from input views and construct a complete geometry volume for the target human body. Meanwhile, for achieving higher rendering efficiency, we introduce a geometry-guided progressive rendering pipeline, which leverages the geometric feature volume and the predicted density values to progressively reduce the number of sampling points and speed up the rendering process. Experiments on the ZJU-MoCap and THUman datasets show that our method outperforms the state-of-the-arts significantly across multiple generalization settings, while the time cost is reduced >70% via applying our efficient progressive rendering pipeline.  ( 2 min )

Building general-purpose robots to perform a diverse range of tasks in a large variety of environments in the physical world at the human level is extremely challenging. It requires the robot learning to be sample-efficient, generalizable, compositional, and incremental. In this work, we introduce a systematic learning framework called SAGCI-system towards achieving these above four requirements. Our system first takes the raw point clouds gathered by the camera mounted on the robot's wrist as the inputs and produces initial modeling of the surrounding environment represented as a file of Unified Robot Description Format (URDF). Our system adopts a learning-augmented differentiable simulation that loads the URDF. The robot then utilizes the interactive perception to interact with the environment to online verify and modify the URDF. Leveraging the differentiable simulation, we propose a model-based learning algorithm combining object-centric and robot-centric stages to efficiently produce policies to accomplish manipulation tasks. We apply our system to perform articulated object manipulation tasks, both in the simulation and the real world. Extensive experiments demonstrate the effectiveness of our proposed learning framework. Supplemental materials and videos are available on https://sites.google.com/view/egci.  ( 2 min )

We study the problem of fitting a model to a dynamical environment when new modes of behavior emerge sequentially. The learning model is aware when a new mode appears, but it does not have access to the true modes of individual training sequences. We devise a novel continual learning method that maintains a descriptor of the mode of an encountered sequence in a neural episodic memory. We employ a Dirichlet Process prior on the attention weights of the memory to foster efficient storage of the mode descriptors. Our method performs continual learning by transferring knowledge across tasks by retrieving the descriptors of similar modes of past tasks to the mode of a current sequence and feeding this descriptor into its transition kernel as control input. We observe the continual learning performance of our method to compare favorably to the mainstream parameter transfer approach.  ( 2 min )

Prompt-Tuning is a new paradigm for finetuning pre-trained language models in a parameter-efficient way. Here, we explore the use of HyperNetworks to generate hyper-prompts: we propose HyperPrompt, a novel architecture for prompt-based task-conditioning of self-attention in Transformers. The hyper-prompts are end-to-end learnable via generation by a HyperNetwork. HyperPrompt allows the network to learn task-specific feature maps where the hyper-prompts serve as task global memories for the queries to attend to, at the same time enabling flexible information sharing among tasks. We show that HyperPrompt is competitive against strong multi-task learning baselines with as few as $0.14\%$ of additional task-conditioning parameters, achieving great parameter and computational efficiency. Through extensive empirical experiments, we demonstrate that HyperPrompt can achieve superior performances over strong T5 multi-task learning baselines and parameter-efficient adapter variants including Prompt-Tuning and HyperFormer++ on Natural Language Understanding benchmarks of GLUE and SuperGLUE across many model sizes.  ( 2 min )

Preserving the performance of a trained model while removing unique characteristics of marked training data points is challenging. Recent research usually suggests retraining a model from scratch with remaining training data or refining the model by reverting the model optimization on the marked data points. Unfortunately, aside from their computational inefficiency, those approaches inevitably hurt the resulting model's generalization ability since they remove not only unique characteristics but also discard shared (and possibly contributive) information. To address the performance degradation problem, this paper presents a novel approach called Performance Unchanged Model Augmentation~(PUMA). The proposed PUMA framework explicitly models the influence of each training data point on the model's generalization ability with respect to various performance criteria. It then complements the negative impact of removing marked data by reweighting the remaining data optimally. To demonstrate the effectiveness of the PUMA framework, we compared it with multiple state-of-the-art data removal techniques in the experiments, where we show the PUMA can effectively and efficiently remove the unique characteristics of marked training data without retraining the model that can 1) fool a membership attack, and 2) resist performance degradation. In addition, as PUMA estimates the data importance during its operation, we show it could serve to debug mislabelled data points more efficiently than existing approaches.  ( 2 min )

Technological progress increasingly envisions the use of robots interacting with people in everyday life. Human-robot collaboration (HRC) is the approach that explores the interaction between a human and a robot, during the completion of a common objective, at the cognitive and physical level. In HRC works, a cognitive model is typically built, which collects inputs from the environment and from the user, elaborates and translates these into information that can be used by the robot itself. Machine learning is a recent approach to build the cognitive model and behavioural block, with high potential in HRC. Consequently, this paper proposes a thorough literature review of the use of machine learning techniques in the context of human-robot collaboration. 45 key papers were selected and analysed, and a clustering of works based on the type of collaborative tasks, evaluation metrics and cognitive variables modelled is proposed. Then, a deep analysis on different families of machine learning algorithms and their properties, along with the sensing modalities used, is carried out. Among the observations, it is outlined the importance of the machine learning algorithms to incorporate time dependencies. The salient features of these works are then cross-analysed to show trends in HRC and give guidelines for future works, comparing them with other aspects of HRC not appeared in the review.  ( 2 min )

Machine unlearning is the process through which a deployed machine learning model is made to forget about some of its training data points. While naively retraining the model from scratch is an option, it is almost always associated with large computational overheads for deep learning models. Thus, several approaches to approximately unlearn have been proposed along with corresponding metrics that formalize what it means for a model to forget about a data point. In this work, we first taxonomize approaches and metrics of approximate unlearning. As a result, we identify verification error, i.e., the L2 difference between the weights of an approximately unlearned and a naively retrained model, as an approximate unlearning metric that should be optimized for as it subsumes a large class of other metrics. We theoretically analyze the canonical training algorithm, stochastic gradient descent (SGD), to surface the variables which are relevant to reducing the verification error of approximate unlearning for SGD. From this analysis, we first derive an easy-to-compute proxy for verification error (termed unlearning error). The analysis also informs the design of a new training objective penalty that limits the overall change in weights during SGD and as a result facilitates approximate unlearning with lower verification error. We validate our theoretical work through an empirical evaluation on learning with CIFAR-10, CIFAR-100, and IMDB sentiment analysis.  ( 2 min )

We study learning contextual MDPs using a function approximation for both the rewards and the dynamics. We consider both the case where the dynamics is known and unknown, and the case that the dynamics dependent or independent of the context. For all four models we derive polynomial sample and time complexity (assuming an efficient ERM oracle). Our methodology gives a general reduction from learning contextual MDP to supervised learning.  ( 2 min )

We consider the problem of deciding how best to target and prioritize existing vaccines that may offer protection against new variants of an infectious disease. Sequential experiments are a promising approach; however, challenges due to delayed feedback and the overall ebb and flow of disease prevalence make available method inapplicable for this task. We present a method, partial likelihood Thompson sampling, that can handle these challenges. Our method involves running Thompson sampling with belief updates determined by partial likelihood each time we observe an event. To test our approach, we ran a semi-synthetic experiment based on 200 days of COVID-19 infection data in the US.  ( 2 min )

Machine learning assisted optimal power flow (OPF) aims to reduce the computational complexity of these non-linear and non-convex constrained optimization problems by consigning expensive (online) optimization to offline training. The majority of work in this area typically employs fully connected neural networks (FCNN). However, recently convolutional (CNN) and graph (GNN) neural networks have also been investigated, in effort to exploit topological information within the power grid. Although promising results have been obtained, there lacks a systematic comparison between these architectures throughout literature. Accordingly, we introduce a concise framework for generalizing methods for machine learning assisted OPF and assess the performance of a variety of FCNN, CNN and GNN models for two fundamental approaches in this domain: regression (predicting optimal generator set-points) and classification (predicting the active set of constraints). For several synthetic power grids with interconnected utilities, we show that locality properties between feature and target variables are scarce and subsequently demonstrate marginal utility of applying CNN and GNN architectures compared to FCNN for a fixed grid topology. However, with variable topology (for instance, modeling transmission line contingency), GNN models are able to straightforwardly take the change of topological information into account and outperform both FCNN and CNN models.  ( 2 min )

In this paper we look at popular fairness methods that use causal counterfactuals. These methods capture the intuitive notion that a prediction is fair if it coincides with the prediction that would have been made if someone's race, gender or religion were counterfactually different. In order to achieve this, we must have causal models that are able to capture what someone would be like if we were to counterfactually change these traits. However, we argue that any model that can do this must lie outside the particularly well behaved class that is commonly considered in the fairness literature. This is because in fairness settings, models in this class entail a particularly strong causal assumption, normally only seen in a randomised controlled trial. We argue that in general this is unlikely to hold. Furthermore, we show in many cases it can be explicitly rejected due to the fact that samples are selected from a wider population. We show this creates difficulties for counterfactual fairness as well as for the application of more general causal fairness methods.  ( 2 min )

We study the label shift problem between the source and target domains in general domain adaptation (DA) settings. We consider transformations transporting the target to source domains, which enable us to align the source and target examples. Through those transformations, we define the label shift between two domains via optimal transport and develop theory to investigate the properties of DA under various DA settings (e.g., closed-set, partial-set, open-set, and universal settings). Inspired from the developed theory, we propose Label and Data Shift Reduction via Optimal Transport (LDROT) which can mitigate the data and label shifts simultaneously. Finally, we conduct comprehensive experiments to verify our theoretical findings and compare LDROT with state-of-the-art baselines.  ( 2 min )

Fully Bayesian approaches to sequential decision-making assume that problem parameters are generated from a known prior. In practice, such information is often lacking. This problem is exacerbated in setups with partial information, where a misspecified prior may lead to poor exploration and performance. In this work we prove, in the context of stochastic linear bandits and Gaussian priors, that as long as the prior is sufficiently close to the true prior, the performance of the applied algorithm is close to that of the algorithm that uses the true prior. Furthermore, we address the task of learning the prior through metalearning, where a learner updates her estimate of the prior across multiple task instances in order to improve performance on future tasks. We provide an algorithm and regret bounds, demonstrate its effectiveness in comparison to an algorithm that knows the correct prior, and support our theoretical results empirically. Our theoretical results hold for a broad class of algorithms, including Thompson Sampling and Information Directed Sampling.  ( 2 min )

Solving inverse problems is a fundamental component of science, engineering and mathematics. With the advent of deep learning, deep neural networks have significant potential to outperform existing state-of-the-art, model-based methods for solving inverse problems. However, it is known that current data-driven approaches face several key issues, notably instabilities and hallucinations, with potential impact in critical tasks such as medical imaging. This raises the key question of whether or not one can construct stable and accurate deep neural networks for inverse problems. In this work, we present a novel construction of an accurate, stable and efficient neural network for inverse problems with general analysis-sparse models. To construct the network, we unroll NESTA, an accelerated first-order method for convex optimization. Combined with a compressed sensing analysis, we prove accuracy and stability. Finally, a restart scheme is employed to enable exponential decay of the required network depth, yielding a shallower, and consequently more efficient, network. We showcase this approach in the case of Fourier imaging, and verify its stability and performance via a series of numerical experiments. The key impact of this work is to provide theoretical guarantees for computing and developing stable neural networks in practice.  ( 2 min )

The traveling salesman problem is a fundamental combinatorial optimization problem with strong exact algorithms. However, as problems scale up, these exact algorithms fail to provide a solution in a reasonable time. To resolve this, current works look at utilizing deep learning to construct reasonable solutions. Such efforts have been very successful, but tend to be slow and compute intensive. This paper exemplifies the integration of entropic regularized optimal transport techniques as a layer in a deep reinforcement learning network. We show that we can construct a model capable of learning without supervision and inferences significantly faster than current autoregressive approaches. We also empirically evaluate the benefits of including optimal transport algorithms within deep learning models to enforce assignment constraints during end-to-end training.  ( 2 min )

Inspired by the human ability to perform complex manipulation in the complete absence of vision (like retrieving an object from a pocket), the robotic manipulation field is motivated to develop new methods for tactile-based object interaction. However, tactile sensing presents the challenge of being an active sensing modality: a touch sensor provides sparse, local data, and must be used in conjunction with effective exploration strategies in order to collect information. In this work, we focus on the process of guiding tactile exploration, and its interplay with task-related decision making. We propose TANDEM (TActile exploration aNd DEcision Making), an architecture to learn efficient exploration strategies in conjunction with decision making. Our approach is based on separate but co-trained modules for exploration and discrimination. We demonstrate this method on a tactile object recognition task, where a robot equipped with a touch sensor must explore and identify an object from a known set based on tactile feedback alone. TANDEM achieves higher accuracy with fewer actions than alternative methods and is also shown to be more robust to sensor noise.  ( 2 min )

Increasing interest in privacy-preserving machine learning has led to new and evolved approaches for generating private synthetic data from undisclosed real data. However, mechanisms of privacy preservation can significantly reduce the utility of synthetic data, which in turn impacts downstream tasks such as learning predictive models or inference. We propose several re-weighting strategies using privatised likelihood ratios that not only mitigate statistical bias of downstream estimators but also have general applicability to differentially private generative models. Through large-scale empirical evaluation, we show that private importance weighting provides simple and effective privacy-compliant augmentation for general applications of synthetic data.  ( 2 min )

As Deep learning (DL) systems continuously evolve and grow, assuring their quality becomes an important yet challenging task. Compared to non-DL systems, DL systems have more complex team compositions and heavier data dependency. These inherent characteristics would potentially cause DL systems to be more vulnerable to bugs and, in the long run, to maintenance issues. Code smells are empirically tested as efficient indicators of non-DL systems. Therefore, we took a step forward into identifying code smells, and understanding their impact on maintenance in this comprehensive study. This is the first study on investigating code smells in the context of DL software systems, which helps researchers and practitioners to get a first look at what kind of maintenance modification made and what code smells developers have been dealing with. Our paper has three major contributions. First, we comprehensively investigated the maintenance modifications that have been made by DL developers via studying the evolution of DL systems, and we identified nine frequently occurred maintenance-related modification categories in DL systems. Second, we summarized five code smells in DL systems. Third, we validated the prevalence, and the impact of our newly identified code smells through a mixture of qualitative and quantitative analysis. We found that our newly identified code smells are prevalent and impactful on the maintenance of DL systems from the developer's perspective.  ( 2 min )

In machine learning, crowdsourcing is an economical way to label a large amount of data. However, the noise in the produced labels may deteriorate the accuracy of any classification method applied to the labelled data. We propose an enhanced nearest neighbor classifier (ENN) to overcome this issue. Two algorithms are developed to estimate the worker quality (which is often unknown in practice): one is to construct the estimate based on the denoised worker labels by applying the $k$NN classifier to the expert data; the other is an iterative algorithm that works even without access to the expert data. Other than strong numerical evidence, our proposed methods are proven to achieve the same regret as its oracle version based on high-quality expert data. As a technical by-product, a lower bound on the sample size assigned to each worker to reach the optimal convergence rate of regret is derived.  ( 2 min )

Covariate shifts are a common problem in predictive modeling on real-world problems. This paper proposes addressing the covariate shift problem by minimizing Maximum Mean Discrepancy (MMD) statistics between the training and test sets in either feature input space, feature representation space, or both. We designed three techniques that we call MMD Representation, MMD Mask, and MMD Hybrid to deal with the scenarios where only a distribution shift exists, only a missingness shift exists, or both types of shift exist, respectively. We find that integrating an MMD loss component helps models use the best features for generalization and avoid dangerous extrapolation as much as possible for each test sample. Models treated with this MMD approach show better performance, calibration, and extrapolation on the test set.  ( 2 min )

Deep reinforcement learning (DRL) has shown huge potentials in building financial market simulators recently. However, due to the highly complex and dynamic nature of real-world markets, raw historical financial data often involve large noise and may not reflect the future of markets, degrading the fidelity of DRL-based market simulators. Moreover, the accuracy of DRL-based market simulators heavily relies on numerous and diverse DRL agents, which increases demand for a universe of market environments and imposes a challenge on simulation speed. In this paper, we present a FinRL-Meta framework that builds a universe of market environments for data-driven financial reinforcement learning. First, FinRL-Meta separates financial data processing from the design pipeline of DRL-based strategy and provides open-source data engineering tools for financial big data. Second, FinRL-Meta provides hundreds of market environments for various trading tasks. Third, FinRL-Meta enables multiprocessing simulation and training by exploiting thousands of GPU cores. Our codes are available online at https://github.com/AI4Finance-Foundation/FinRL-Meta.  ( 2 min )

Graph Neural Networks (GNNs) are powerful models designed for graph data that learn node representation by recursively aggregating information from each node's local neighborhood. However, despite their state-of-the-art performance in predictive graph-based applications, recent studies have shown that GNNs can raise significant privacy concerns when graph data contain sensitive information. As a result, in this paper, we study the problem of learning GNNs with Differential Privacy (DP). We propose GAP, a novel differentially private GNN that safeguards the privacy of nodes and edges using aggregation perturbation, i.e., adding calibrated stochastic noise to the output of the GNN's aggregation function, which statistically obfuscates the presence of a single edge (edge-level privacy) or a single node and all its adjacent edges (node-level privacy). To circumvent the accumulation of privacy cost at every forward pass of the model, we tailor the GNN architecture to the specifics of private learning. In particular, we first precompute private aggregations by recursively applying neighborhood aggregation and perturbing the output of each aggregation step. Then, we privately train a deep neural network on the resulting perturbed aggregations for any node-wise classification task. A major advantage of GAP over previous approaches is that we guarantee edge-level and node-level DP not only for training, but also at inference time with no additional costs beyond the training's privacy budget. We theoretically analyze the formal privacy guarantees of GAP using R\'enyi DP. Empirical experiments conducted over three real-world graph datasets demonstrate that GAP achieves a favorable privacy-accuracy trade-off and significantly outperforms existing approaches.  ( 2 min )

Although deep reinforcement learning has become a universal solution for complex control tasks, its real-world applicability is still limited because lacking security guarantees for policies. To address this problem, we propose Boundary Characterization via the Minimum Experience Retention (BCMER), an end-to-end Interpretable Policy Distillation (IPD) framework. Unlike previous IPD approaches, BCMER distinguishes the importance of experiences and keeps a minimal but critical experience pool with almost no loss of policy similarity. Specifically, the proposed BCMER contains two basic steps. Firstly, we propose a novel multidimensional hyperspheres intersection (MHI) approach to divide experience points into boundary points and internal points, and reserve the crucial boundary points. Secondly, we develop a nearest-neighbor-based model to generate robust and interpretable decision rules based on the boundary points. Extensive experiments show that the proposed BCMER is able to reduce the amount of experience to 1.4%~19.1% (when the count of the naive experiences is 10k) and maintain high IPD performance. In general, the proposed BCMER is more suitable for the experience storage limited regime because it discovers the critical experience and eliminates redundant experience.  ( 2 min )

As end-to-end automatic speech recognition (ASR) models reach promising performance, various downstream tasks rely on good confidence estimators for these systems. Recent research has shown that model-based confidence estimators have a significant advantage over using the output softmax probabilities. If the input data to the speech recogniser is from mismatched acoustic and linguistic conditions, the ASR performance and the corresponding confidence estimators may exhibit severe degradation. Since confidence models are often trained on the same in-domain data as the ASR, generalising to out-of-domain (OOD) scenarios is challenging. By keeping the ASR model untouched, this paper proposes two approaches to improve the model-based confidence estimators on OOD data: using pseudo transcriptions and an additional OOD language model. With an ASR model trained on LibriSpeech, experiments show that the proposed methods can greatly improve the confidence metrics on TED-LIUM and Switchboard datasets while preserving in-domain performance. Furthermore, the improved confidence estimators are better calibrated on OOD data and can provide a much more reliable criterion for data selection.  ( 2 min )

Since training a large-scale backdoored model from scratch requires a large training dataset, several recent attacks have considered to inject backdoors into a trained clean model without altering model behaviors on the clean data. Previous work finds that backdoors can be injected into a trained clean model with Adversarial Weight Perturbation (AWP). Here AWPs refers to the variations of parameters that are small in backdoor learning. In this work, we observe an interesting phenomenon that the variations of parameters are always AWPs when tuning the trained clean model to inject backdoors. We further provide theoretical analysis to explain this phenomenon. We formulate the behavior of maintaining accuracy on clean data as the consistency of backdoored models, which includes both global consistency and instance-wise consistency. We extensively analyze the effects of AWPs on the consistency of backdoored models. In order to achieve better consistency, we propose a novel anchoring loss to anchor or freeze the model behaviors on the clean data, with a theoretical guarantee. Both the analytical and the empirical results validate the effectiveness of the anchoring loss in improving the consistency, especially the instance-wise consistency.  ( 2 min )

The generalization error of a classifier is related to the complexity of the set of functions among which the classifier is chosen. We study a family of low-complexity classifiers consisting of thresholding a random one-dimensional feature. The feature is obtained by projecting the data on a random line after embedding it into a higher-dimensional space parametrized by monomials of order up to k. More specifically, the extended data is projected n-times and the best classifier among those n, based on its performance on training data, is chosen. We show that this type of classifier is extremely flexible, as it is likely to approximate, to an arbitrary precision, any continuous function on a compact set as well as any boolean function on a compact set that splits the support into measurable subsets. In particular, given full knowledge of the class conditional densities, the error of these low-complexity classifiers would converge to the optimal (Bayes) error as k and n go to infinity. On the other hand, if only a training dataset is given, we show that the classifiers will perfectly classify all the training points as k and n go to infinity. We also bound the generalization error of our random classifiers. In general, our bounds are better than those for any classifier with VC dimension greater than O (ln n) . In particular, our bounds imply that, unless the number of projections n is extremely large, there is a significant advantageous gap between the generalization error of the random projection approach and that of a linear classifier in the extended space. Asymptotically, as the number of samples approaches infinity, the gap persists for any such n. Thus, there is a potentially large gain in generalization properties by selecting parameters at random, rather than optimization.  ( 3 min )

In this article, we propose a novel algorithm for deep reinforcement learning named Expert Q-learning. Expert Q-learning is inspired by Dueling Q-learning and aims at incorporating semi-supervised learning into reinforcement learning through splitting Q-values into state values and action advantages. We require that an offline expert assesses the value of a state in a coarse manner using three discrete values. An expert network is designed in addition to the Q-network, which updates each time following the regular offline minibatch update whenever the expert example buffer is not empty. Using the board game Othello, we compare our algorithm with the baseline Q-learning algorithm, which is a combination of Double Q-learning and Dueling Q-learning. Our results show that Expert Q-learning is indeed useful and more resistant to the overestimation bias. The baseline Q-learning algorithm exhibits unstable and suboptimal behavior in non-deterministic settings, whereas Expert Q-learning demonstrates more robust performance with higher scores, illustrating that our algorithm is indeed suitable to integrate state values from expert examples into Q-learning.  ( 2 min )

A major challenge in structured prediction is to represent the interdependencies within output structures. When outputs are structured as sequences, linear-chain conditional random fields (CRFs) are a widely used model class which can learn \textit{local} dependencies in the output. However, the CRF's Markov assumption makes it impossible for CRFs to represent distributions with \textit{nonlocal} dependencies, and standard CRFs are unable to respect nonlocal constraints of the data (such as global arity constraints on output labels). We present a generalization of CRFs that can enforce a broad class of constraints, including nonlocal ones, by specifying the space of possible output structures as a regular language $\mathcal{L}$. The resulting regular-constrained CRF (RegCCRF) has the same formal properties as a standard CRF, but assigns zero probability to all label sequences not in $\mathcal{L}$. Notably, RegCCRFs can incorporate their constraints during training, while related models only enforce constraints during decoding. We prove that constrained training is never worse than constrained decoding, and show empirically that it can be substantially better in practice. Additionally, we demonstrate a practical benefit on downstream tasks by incorporating a RegCCRF into a deep neural model for semantic role labeling, exceeding state-of-the-art results on a standard dataset.  ( 2 min )

Embedding nonlinear dynamical systems into artificial neural networks is a powerful new formalism for machine learning. By parameterizing ordinary differential equations (ODEs) as neural network layers, these Neural ODEs are memory-efficient to train, process time-series naturally and incorporate knowledge of physical systems into deep learning models. However, the practical applications of Neural ODEs are limited due to long inference times, because the outputs of the embedded ODE layers are computed numerically with differential equation solvers that can be computationally demanding. Here we show that mathematical model order reduction methods can be used for compressing and accelerating Neural ODEs by accurately simulating the continuous nonlinear dynamics in low-dimensional subspaces. We implement our novel compression method by developing Neural ODEs that integrate the necessary subspace-projection and interpolation operations as layers of the neural network. We validate our approach by comparing it to neuron pruning and SVD-based weight truncation methods from the literature in image and time-series classification tasks. The methods are evaluated by acceleration versus accuracy when adjusting the level of compression. On this spectrum, we achieve a favourable balance over existing methods by using model order reduction when compressing a convolutional Neural ODE. In compressing a recurrent Neural ODE, SVD-based weight truncation yields good performance. Based on our results, our integration of model order reduction with Neural ODEs can facilitate efficient, dynamical system-driven deep learning in resource-constrained applications.  ( 2 min )

Bird's Eye View (BEV) is a popular representation for processing 3D point clouds, and by its nature is fundamentally sparse. Motivated by the computational limitations of mobile robot platforms, we create a fast, high-performance BEV 3D object detector that maintains and exploits this input sparsity to decrease runtimes over non-sparse baselines and avoids the tradeoff between pseudoimage area and runtime. We present results on KITTI, a canonical 3D detection dataset, and Matterport-Chair, a novel Matterport3D-derived chair detection dataset from scenes in real furnished homes. We evaluate runtime characteristics using a desktop GPU, an embedded ML accelerator, and a robot CPU, demonstrating that our method results in significant detection speedups (2X or more) for embedded systems with only a modest decrease in detection quality. Our work represents a new approach for practitioners to optimize models for embedded systems by maintaining and exploiting input sparsity throughout their entire pipeline to reduce runtime and resource usage while preserving detection performance.  ( 2 min )

Deep learning has received much attention lately due to the impressive empirical performance achieved by training algorithms. Consequently, a need for a better theoretical understanding of these problems has become more evident in recent years. In this work, using a unified framework, we show that there exists a polyhedron which encodes simultaneously all possible deep neural network training problems that can arise from a given architecture, activation functions, loss function, and sample-size. Notably, the size of the polyhedral representation depends only linearly on the sample-size, and a better dependency on several other network parameters is unlikely (assuming $P\neq NP$). Additionally, we use our polyhedral representation to obtain new and better computational complexity results for training problems of well-known neural network architectures. Our results provide a new perspective on training problems through the lens of polyhedral theory and reveal a strong structure arising from these problems.  ( 2 min )

This paper presents and characterizes an Open Application Repository for Federated Learning (OARF), a benchmark suite for federated machine learning systems. Previously available benchmarks for federated learning have focused mainly on synthetic datasets and use a limited number of applications. OARF mimics more realistic application scenarios with publicly available data sets as different data silos in image, text and structured data. Our characterization shows that the benchmark suite is diverse in data size, distribution, feature distribution and learning task complexity. The extensive evaluations with reference implementations show the future research opportunities for important aspects of federated learning systems. We have developed reference implementations, and evaluated the important aspects of federated learning, including model accuracy, communication cost, throughput and convergence time. Through these evaluations, we discovered some interesting findings such as federated learning can effectively increase end-to-end throughput.  ( 2 min )

Research in human-centered AI has shown the benefits of systems that can explain their predictions. Methods that allow an AI to take advice from humans in response to explanations are similarly useful. While both capabilities are well-developed for transparent learning models (e.g., linear models and GA$^2$Ms), and recent techniques (e.g., LIME and SHAP) can generate explanations for opaque models, little attention has been given to advice methods for opaque models. This paper introduces LIMEADE, the first general framework that translates both positive and negative advice (expressed using high-level vocabulary such as that employed by post-hoc explanations) into an update to an arbitrary, underlying opaque model. We demonstrate the generality of our approach with case studies on seventy real-world models across two broad domains: image classification and text recommendation. We show our method improves accuracy compared to a rigorous baseline on the image classification domains. For the text modality, we apply our framework to a neural recommender system for scientific papers on a public website; our user study shows that our framework leads to significantly higher perceived user control, trust, and satisfaction.  ( 2 min )

Online influence maximization has attracted much attention as a way to maximize influence spread through a social network while learning the values of unknown network parameters. Most previous works focus on single-item diffusion. In this paper, we introduce a new Online Competitive Influence Maximization (OCIM) problem, where two competing items (e.g., products, news stories) propagate in the same network and influence probabilities on edges are unknown. We adopt a combinatorial multi-armed bandit (CMAB) framework for OCIM, but unlike the non-competitive setting, the important monotonicity property (influence spread increases when influence probabilities on edges increase) no longer holds due to the competitive nature of propagation, which brings a significant new challenge to the problem. We provide a nontrivial proof showing that the Triggering Probability Modulated (TPM) condition for CMAB still holds in OCIM, which is instrumental for our proposed algorithms OCIM-TS and OCIM-OFU to achieve sublinear Bayesian and frequentist regret, respectively. We also design an OCIM-ETC algorithm that requires less feedback and easier offline computation, at the expense of a worse frequentist regret bound. Experimental evaluations demonstrate the effectiveness of our algorithms.  ( 2 min )

Ensemble sampling serves as a practical approximation to Thompson sampling when maintaining an exact posterior distribution over model parameters is computationally intractable. In this paper, we establish a Bayesian regret bound that ensures desirable behavior when ensemble sampling is applied to the linear bandit problem. This represents the first rigorous regret analysis of ensemble sampling and is made possible by leveraging information-theoretic concepts and novel analytic techniques that may prove useful beyond the scope of this paper.  ( 2 min )

We propose a novel neural network architecture that enables non-parametric calibration and generation of multivariate extreme value distributions (MEVs). MEVs arise from Extreme Value Theory (EVT) as the necessary class of models when extrapolating a distributional fit over large spatial and temporal scales based on data observed in intermediate scales. In turn, EVT dictates that $d$-max-decreasing, a stronger form of convexity, is an essential shape constraint in the characterization of MEVs. As far as we know, our proposed architecture provides the first class of non-parametric estimators for MEVs that preserve these essential shape constraints. We show that our architecture approximates the dependence structure encoded by MEVs at parametric rate. Moreover, we present a new method for sampling high-dimensional MEVs using a generative model. We demonstrate our methodology on a wide range of experimental settings, ranging from environmental sciences to financial mathematics and verify that the structural properties of MEVs are retained compared to existing methods.  ( 2 min )

In this paper, we present a scientific evaluation of four market-leading malware detection tools to assist an organization with two primary questions: To what extent do ML-based tools accurately classify previously- and never-before-seen files? Is it worth purchasing a network-level malware detector? To identify weaknesses, we tested each tool against 3,536 total files (2,554 or 72\% malicious, 982 or 28\% benign) of a variety of file types, including hundreds of malicious zero-days, polyglots, and APT-style files, delivered on multiple protocols. We present statistical results on detection time and accuracy, consider complementary analysis (using multiple tools together), and provide two novel applications of the recent cost-benefit evaluation procedure of Iannacone \& Bridges. While the ML-based tools are more effective at detecting zero-day files and executables, the signature-based tool may still be an overall better option. Both network-based tools provide substantial (simulated) savings when paired with either host tool, yet both show poor detection rates on protocols other than HTTP or SMTP. Our results show that all four tools have near-perfect precision but alarmingly low recall, especially on file types other than executables and office files -- 37% of malware tested, including all polyglot files, were undetected. Priorities for researchers and takeaways for end users are given.  ( 2 min )

A key question in many low-rank problems throughout optimization, machine learning, and statistics is to characterize the convex hulls of simple low-rank sets and judiciously apply these convex hulls to obtain strong yet computationally tractable convex relaxations. We invoke the matrix perspective function - the matrix analog of the perspective function - and characterize explicitly the convex hull of epigraphs of simple matrix convex functions under low-rank constraints. Further, we combine the matrix perspective function with orthogonal projection matrices-the matrix analog of binary variables which capture the row-space of a matrix-to develop a matrix perspective reformulation technique that reliably obtains strong relaxations for a variety of low-rank problems, including reduced rank regression, non-negative matrix factorization, and factor analysis. Moreover, we establish that these relaxations can be modeled via semidefinite constraints and thus optimized over tractably. The proposed approach parallels and generalizes the perspective reformulation technique in mixed-integer optimization and leads to new relaxations for a broad class of problems.  ( 2 min )

In neural network's Literature, {\em Hebbian learning} traditionally refers to the procedure by which the Hopfield model and its generalizations {\em store} archetypes (i.e., definite patterns that are experienced just once to form the synaptic matrix). However, the term {\em learning} in Machine Learning refers to the ability of the machine to extract features from the supplied dataset (e.g., made of blurred examples of these archetypes), in order to make its own representation of the unavailable archetypes. Here we prove that, if we feed the Hopfield model with blurred examples, we can define both {\em supervised} and {\em unsupervised} learning protocols by which the network can possibly infer the archetypes and we detect the correct control parameters (including the dataset size and its quality) to depict a phase diagram for the system performance. We also prove that, for random, structureless datasets, the Hopfield model equipped with a supervised learning rule is equivalent to a restricted Boltzmann machine and this suggests an optimal training routine; the robustness of results is also checked numerically for structured datasets. This work contributes to pave a solid way toward eXplainable AI (XAI).  ( 2 min )

Learning multimodal representations involves discovering correspondences and integrating information from multiple heterogeneous sources of data. While recent research has begun to explore the design of more general-purpose multimodal models (contrary to prior focus on domain and modality-specific architectures), these methods are still largely focused on a small set of modalities in the language, vision, and audio space. In order to accelerate generalization towards diverse and understudied modalities, we investigate methods for high-modality (a large set of diverse modalities) and partially-observable (each task only defined on a small subset of modalities) scenarios. To tackle these challenges, we design a general multimodal model that enables multitask and transfer learning: multitask learning with shared parameters enables stable parameter counts (addressing scalability), and cross-modal transfer learning enables information sharing across modalities and tasks (addressing partial observability). Our resulting model generalizes across text, image, video, audio, time-series, sensors, tables, and set modalities from different research areas, improves the tradeoff between performance and efficiency, transfers to new modalities and tasks, and reveals surprising insights on the nature of information sharing in multitask models. We release our code and benchmarks which we hope will present a unified platform for subsequent theoretical and empirical analysis: https://github.com/pliang279/HighMMT.  ( 2 min )

Continual learning tackles the setting of learning different tasks sequentially. Despite the lots of previous solutions, most of them still suffer significant forgetting or expensive memory cost. In this work, targeted at these problems, we first study the continual learning process through the lens of information theory and observe that forgetting of a model stems from the loss of \emph{information gain} on its parameters from the previous tasks when learning a new task. From this viewpoint, we then propose a novel continual learning approach called Bit-Level Information Preserving (BLIP) that preserves the information gain on model parameters through updating the parameters at the bit level, which can be conveniently implemented with parameter quantization. More specifically, BLIP first trains a neural network with weight quantization on the new incoming task and then estimates information gain on each parameter provided by the task data to determine the bits to be frozen to prevent forgetting. We conduct extensive experiments ranging from classification tasks to reinforcement learning tasks, and the results show that our method produces better or on par results comparing to previous state-of-the-arts. Indeed, BLIP achieves close to zero forgetting while only requiring constant memory overheads throughout continual learning.  ( 2 min )

Accurate kinodynamic models play a crucial role in many robotics applications such as off-road navigation and high-speed driving. Many state-of-the-art approaches in learning stochastic kinodynamic models, however, require precise measurements of robot states as labeled input/output examples, which can be hard to obtain in outdoor settings due to limited sensor capabilities and the absence of ground truth. In this work, we propose a new technique for learning neural stochastic kinodynamic models from noisy and indirect observations by performing simultaneous state estimation and dynamics learning. The proposed technique iteratively improves the kinodynamic model in an expectation-maximization loop, where the E Step samples posterior state trajectories using particle filtering, and the M Step updates the dynamics to be more consistent with the sampled trajectories via stochastic gradient ascent. We evaluate our approach on both simulation and real-world benchmarks and compare it with several baseline techniques. Our approach not only achieves significantly higher accuracy but is also more robust to observation noise, thereby showing promise for boosting the performance of many other robotics applications.  ( 2 min )

Data collected at very frequent intervals is usually extremely sparse and has no structure that is exploitable by modern tensor decomposition algorithms. Thus the utility of such tensors is low, in terms of the amount of interpretable and exploitable structure that one can extract from them. In this paper, we introduce the problem of finding a tensor of adaptive aggregated granularity that can be decomposed to reveal meaningful latent concepts (structures) from datasets that, in their original form, are not amenable to tensor analysis. Such datasets fall under the broad category of sparse point processes that evolve over space and/or time. To the best of our knowledge, this is the first work that explores adaptive granularity aggregation in tensors. Furthermore, we formally define the problem and discuss what different definitions of "good structure" can be in practice, and show that optimal solution is of prohibitive combinatorial complexity. Subsequently, we propose an efficient and effective greedy algorithm called IceBreaker, which follows a number of intuitive decision criteria that locally maximize the "goodness of structure", resulting in high-quality tensors. We evaluate our method on synthetic, semi-synthetic and real datasets. In all the cases, our proposed method constructs tensors that have very high structure quality.  ( 2 min )

We study finite-time horizon continuous-time linear-convex reinforcement learning problems in an episodic setting. In this problem, the unknown linear jump-diffusion process is controlled subject to nonsmooth convex costs. We show that the associated linear-convex control problems admit Lipchitz continuous optimal feedback controls and further prove the Lipschitz stability of the feedback controls, i.e., the performance gap between applying feedback controls for an incorrect model and for the true model depends Lipschitz-continuously on the magnitude of perturbations in the model coefficients; the proof relies on a stability analysis of the associated forward-backward stochastic differential equation. We then propose a novel least-squares algorithm which achieves a regret of the order $O(\sqrt{N\ln N})$ on linear-convex learning problems with jumps, where $N$ is the number of learning episodes; the analysis leverages the Lipschitz stability of feedback controls and concentration properties of sub-Weibull random variables. Numerical experiment confirms the convergence and the robustness of the proposed algorithm.  ( 2 min )

As deep reinforcement learning (DRL) has been recognized as an effective approach in quantitative finance, getting hands-on experiences is attractive to beginners. However, to train a practical DRL trading agent that decides where to trade, at what price, and what quantity involves error-prone and arduous development and debugging. In this paper, we introduce a DRL library FinRL that facilitates beginners to expose themselves to quantitative finance and to develop their own stock trading strategies. Along with easily-reproducible tutorials, FinRL library allows users to streamline their own developments and to compare with existing schemes easily. Within FinRL, virtual environments are configured with stock market datasets, trading agents are trained with neural networks, and extensive backtesting is analyzed via trading performance. Moreover, it incorporates important trading constraints such as transaction cost, market liquidity and the investor's degree of risk-aversion. FinRL is featured with completeness, hands-on tutorial and reproducibility that favors beginners: (i) at multiple levels of time granularity, FinRL simulates trading environments across various stock markets, including NASDAQ-100, DJIA, S&P 500, HSI, SSE 50, and CSI 300; (ii) organized in a layered architecture with modular structure, FinRL provides fine-tuned state-of-the-art DRL algorithms (DQN, DDPG, PPO, SAC, A2C, TD3, etc.), commonly-used reward functions and standard evaluation baselines to alleviate the debugging workloads and promote the reproducibility, and (iii) being highly extendable, FinRL reserves a complete set of user-import interfaces. Furthermore, we incorporated three application demonstrations, namely single stock trading, multiple stock trading, and portfolio allocation. The FinRL library will be available on Github at link https://github.com/AI4Finance-LLC/FinRL-Library.  ( 3 min )

Model explanations such as saliency maps can improve user trust in AI by highlighting important features for a prediction. However, these become distorted and misleading when explaining predictions of images that are subject to systematic error (bias) by perturbations and corruptions. Furthermore, the distortions persist despite model fine-tuning on images biased by different factors (blur, color temperature, day/night). We present Debiased-CAM to recover explanation faithfulness across various bias types and levels by training a multi-input, multi-task model with auxiliary tasks for explanation and bias level predictions. In simulation studies, the approach not only enhanced prediction accuracy, but also generated highly faithful explanations about these predictions as if the images were unbiased. In user studies, debiased explanations improved user task performance, perceived truthfulness and perceived helpfulness. Debiased training can provide a versatile platform for robust performance and explanation faithfulness for a wide range of applications with data biases.  ( 2 min )

We study the design of rating systems that incentivize efficient social learning. Agents arrive sequentially and choose actions, each of which yields a reward drawn from an unknown distribution. A policy maps the rewards of previously-chosen actions to messages for arriving agents. The regret of a policy is the difference, over all rounds, between the expected reward of the best action and the reward induced by the policy. Prior work proposes policies that recommend a single action to each agent, obtaining optimal regret under standard rationality assumptions. We instead assume a frequentist behavioral model and, accordingly, restrict attention to disclosure policies that use messages consisting of the actions and rewards from a subsequence of past agents, chosen ex ante. We design a policy with optimal regret in the worst case over reward distributions. Our research suggests three components of effective polices: independent focus groups, group aggregators, and interlaced information structures.  ( 2 min )

Circadian rhythms influence multiple essential biological activities including sleep, performance, and mood. The dim light melatonin onset (DLMO) is the gold standard for measuring human circadian phase (i.e., timing). The collection of DLMO is expensive and time-consuming since multiple saliva or blood samples are required overnight in special conditions, and the samples must then be assayed for melatonin. Recently, several computational approaches have been designed for estimating DLMO. These methods collect daily sampled data (e.g., sleep onset/offset times) or frequently sampled data (e.g., light exposure/skin temperature/physical activity collected every minute) to train learning models for estimating DLMO. One limitation of these studies is that they only leverage one time-scale data. We propose a two-step framework for estimating DLMO using data from both time scales. The first step summarizes data from before the current day, while the second step combines this summary with frequently sampled data of the current day. We evaluate three moving average models that input sleep timing data as the first step and use recurrent neural network models as the second step. The results using data from 207 undergraduates show that our two-step model with two time-scale features has statistically significantly lower root-mean-square errors than models that use either daily sampled data or frequently sampled data.  ( 2 min )

It remains a significant challenge to train generally capable agents with reinforcement learning (RL). A promising avenue for improving the robustness of RL agents is through the use of curricula. One such class of methods frames environment design as a game between a student and a teacher, using regret-based objectives to produce environment instantiations (or levels) at the frontier of the student agent's capabilities. These methods benefit from their generality, with theoretical guarantees at equilibrium, yet they often struggle to find effective levels in challenging design spaces. By contrast, evolutionary approaches seek to incrementally alter environment complexity, resulting in potentially open-ended learning, but often rely on domain-specific heuristics and vast amounts of computational resources. In this paper we propose to harness the power of evolution in a principled, regret-based curriculum. Our approach, which we call Adversarially Compounding Complexity by Editing Levels (ACCEL), seeks to constantly produce levels at the frontier of an agent's capabilities, resulting in curricula that start simple but become increasingly complex. ACCEL maintains the theoretical benefits of prior regret-based methods, while providing significant empirical gains in a diverse set of environments. An interactive version of the paper is available at accelagent.github.io.  ( 2 min )

Teachers often conduct surveys in order to collect data from a predefined group of students to gain insights into topics of interest. When analyzing surveys with open-ended textual responses, it is extremely time-consuming, labor-intensive, and difficult to manually process all the responses into an insightful and comprehensive report. In the analysis step, traditionally, the teacher has to read each of the responses and decide on how to group them in order to extract insightful information. Even though it is possible to group the responses only using certain keywords, such an approach would be limited since it not only fails to account for embedded contexts but also cannot detect polysemous words or phrases and semantics that are not expressible in single words. In this work, we present a novel end-to-end context-aware framework that extracts, aggregates, and abbreviates embedded semantic patterns in open-response survey data. Our framework relies on a pre-trained natural language model in order to encode the textual data into semantic vectors. The encoded vectors then get clustered either into an optimally tuned number of groups or into a set of groups with pre-specified titles. In the former case, the clusters are then further analyzed to extract a representative set of keywords or summary sentences that serve as the labels of the clusters. In our framework, for the designated clusters, we finally provide context-aware wordclouds that demonstrate the semantically prominent keywords within each group. Honoring user privacy, we have successfully built the on-device implementation of our framework suitable for real-time analysis on mobile devices and have tested it on a synthetic dataset. Our framework reduces the costs at-scale by automating the process of extracting the most insightful information pieces from survey data.  ( 2 min )

We derive an algorithm that achieves the optimal (within constants) pseudo-regret in both adversarial and stochastic multi-armed bandits without prior knowledge of the regime and time horizon. The algorithm is based on online mirror descent (OMD) with Tsallis entropy regularization with power $\alpha=1/2$ and reduced-variance loss estimators. More generally, we define an adversarial regime with a self-bounding constraint, which includes stochastic regime, stochastically constrained adversarial regime (Wei and Luo), and stochastic regime with adversarial corruptions (Lykouris et al.) as special cases, and show that the algorithm achieves logarithmic regret guarantee in this regime and all of its special cases simultaneously with the adversarial regret guarantee.} The algorithm also achieves adversarial and stochastic optimality in the utility-based dueling bandit setting. We provide empirical evaluation of the algorithm demonstrating that it significantly outperforms UCB1 and EXP3 in stochastic environments. We also provide examples of adversarial environments, where UCB1 and Thompson Sampling exhibit almost linear regret, whereas our algorithm suffers only logarithmic regret. To the best of our knowledge, this is the first example demonstrating vulnerability of Thompson Sampling in adversarial environments. Last, but not least, we present a general stochastic analysis and a general adversarial analysis of OMD algorithms with Tsallis entropy regularization for $\alpha\in[0,1]$ and explain the reason why $\alpha=1/2$ works best.  ( 2 min )

To equip Convolutional Neural Networks (CNNs) with explainability, it is essential to interpret how opaque models take specific decisions, understand what causes the errors, improve the architecture design, and identify unethical biases in the classifiers. This paper introduces ADVISE, a new explainability method that quantifies and leverages the relevance of each unit of the feature map to provide better visual explanations. To this end, we propose using adaptive bandwidth kernel density estimation to assign a relevance score to each unit of the feature map with respect to the predicted class. We also propose an evaluation protocol to quantitatively assess the visual explainability of CNN models. We extensively evaluate our idea in the image classification task using AlexNet, VGG16, ResNet50, and Xception pretrained on ImageNet. We compare ADVISE with the state-of-the-art visual explainable methods and show that the proposed method outperforms competing approaches in quantifying feature-relevance and visual explainability while maintaining competitive time complexity. Our experiments further show that ADVISE fulfils the sensitivity and implementation independence axioms while passing the sanity checks. The implementation is accessible for reproducibility purposes on https://github.com/dehshibi/ADVISE.  ( 2 min )

When providing the boundary conditions for hydrological flood models and estimating the associated risk, interpolating precipitation at very high temporal resolutions (e.g. 5 minutes) is essential not to miss the cause of flooding in local regions. In this paper, we study optical flow-based interpolation of globally available weather radar images from satellites. The proposed approach uses deep neural networks for the interpolation of multiple video frames, while terrain information is combined with temporarily coarse-grained precipitation radar observation as inputs for self-supervised training. An experiment with the Meteonet radar precipitation dataset for the flood risk simulation in Aude, a department in Southern France (2018), demonstrated the advantage of the proposed method over a linear interpolation baseline, with up to 20% error reduction.  ( 2 min )

Virtual high throughput screening (VHTS) and machine learning (ML) have greatly accelerated the design of single-site transition-metal catalysts. VHTS of catalysts, however, is often accompanied with high calculation failure rate and wasted computational resources due to the difficulty of simultaneously converging all mechanistically relevant reactive intermediates to expected geometries and electronic states. We demonstrate a dynamic classifier approach, i.e., a convolutional neural network that monitors geometry optimization on the fly, and exploit its good performance and transferability for catalyst design. We show that the dynamic classifier performs well on all reactive intermediates in the representative catalytic cycle of the radical rebound mechanism for methane-to-methanol despite being trained on only one reactive intermediate. The dynamic classifier also generalizes to chemically distinct intermediates and metal centers absent from the training data without loss of accuracy or model confidence. We rationalize this superior model transferability to the use of on-the-fly electronic structure and geometric information generated from density functional theory calculations and the convolutional layer in the dynamic classifier. Combined with model uncertainty quantification, the dynamic classifier saves more than half of the computational resources that would have been wasted on unsuccessful calculations for all reactive intermediates being considered.  ( 2 min )

When training deep neural networks for classification tasks, an intriguing empirical phenomenon has been widely observed in the last-layer classifiers and features, where (i) the class means and the last-layer classifiers all collapse to the vertices of a Simplex Equiangular Tight Frame (ETF) up to scaling, and (ii) cross-example within-class variability of last-layer activations collapses to zero. This phenomenon is called Neural Collapse (NC), which seems to take place regardless of the choice of loss functions. In this work, we justify NC under the mean squared error (MSE) loss, where recent empirical evidence shows that it performs comparably or even better than the de-facto cross-entropy loss. Under a simplified unconstrained feature model, we provide the first global landscape analysis for vanilla nonconvex MSE loss and show that the (only!) global minimizers are neural collapse solutions, while all other critical points are strict saddles whose Hessian exhibit negative curvature directions. Furthermore, we justify the usage of rescaled MSE loss by probing the optimization landscape around the NC solutions, showing that the landscape can be improved by tuning the rescaling hyperparameters. Finally, our theoretical findings are experimentally verified on practical network architectures.  ( 2 min )

Introduced as a notion of algorithmic fairness, multicalibration has proved to be a powerful and versatile concept with implications far beyond its original intent. This stringent notion -- that predictions be well-calibrated across a rich class of intersecting subpopulations -- provides its strong guarantees at a cost: the computational and sample complexity of learning multicalibrated predictors are high, and grow exponentially with the number of class labels. In contrast, the relaxed notion of multiaccuracy can be achieved more efficiently, yet many of the most desirable properties of multicalibration cannot be guaranteed assuming multiaccuracy alone. This tension raises a key question: Can we learn predictors with multicalibration-style guarantees at a cost commensurate with multiaccuracy? In this work, we define and initiate the study of Low-Degree Multicalibration. Low-Degree Multicalibration defines a hierarchy of increasingly-powerful multi-group fairness notions that spans multiaccuracy and the original formulation of multicalibration at the extremes. Our main technical contribution demonstrates that key properties of multicalibration, related to fairness and accuracy, actually manifest as low-degree properties. Importantly, we show that low-degree multicalibration can be significantly more efficient than full multicalibration. In the multi-class setting, the sample complexity to achieve low-degree multicalibration improves exponentially (in the number of classes) over full multicalibration. Our work presents compelling evidence that low-degree multicalibration represents a sweet spot, pairing computational and sample efficiency with strong fairness and accuracy guarantees.  ( 2 min )

Exoplanet observations are currently analysed with Bayesian retrieval techniques. Due to the computational load of the models used, a compromise is needed between model complexity and computing time. Analysis of data from future facilities, will need more complex models which will increase the computational load of retrievals, prompting the search for a faster approach for interpreting exoplanet observations. Our goal is to compare machine learning retrievals of exoplanet transmission spectra with nested sampling, and understand if machine learning can be as reliable as Bayesian retrievals for a statistically significant sample of spectra while being orders of magnitude faster. We generate grids of synthetic transmission spectra and their corresponding planetary and atmospheric parameters, one using free chemistry models, and the other using equilibrium chemistry models. Each grid is subsequently rebinned to simulate both HST/WFC3 and JWST/NIRSpec observations, yielding four datasets in total. Convolutional neural networks (CNNs) are trained with each of the datasets. We perform retrievals on a 1,000 simulated observations for each combination of model type and instrument with nested sampling and machine learning. We also use both methods to perform retrievals on real WFC3 transmission spectra. Finally, we test how robust machine learning and nested sampling are against incorrect assumptions in our models. CNNs reach a lower coefficient of determination between predicted and true values of the parameters. Nested sampling underestimates the uncertainty in ~8% of retrievals, whereas CNNs estimate them correctly. For real WFC3 observations, nested sampling and machine learning agree within $2\sigma$ for ~86% of spectra. When doing retrievals with incorrect assumptions, nested sampling underestimates the uncertainty in ~12% to ~41% of cases, whereas this is always below ~10% for the CNN.  ( 2 min )

Trajectory generation and prediction are two interwoven tasks that play important roles in planner evaluation and decision making for intelligent vehicles. Most existing methods focus on one of the two and are optimized to directly output the final generated/predicted trajectories, which only contain limited information for critical scenario augmentation and safe planning. In this work, we propose a novel behavior-aware Trajectory Autoencoder (TAE) that explicitly models drivers' behavior such as aggressiveness and intention in the latent space, using semi-supervised adversarial autoencoder and domain knowledge in transportation. Our model addresses trajectory generation and prediction in a unified architecture and benefits both tasks: the model can generate diverse, controllable and realistic trajectories to enhance planner optimization in safety-critical and long-tailed scenarios, and it can provide prediction of critical behavior in addition to the final trajectories for decision making. Experimental results demonstrate that our method achieves promising performance on both trajectory generation and prediction.  ( 2 min )

Network analysis has been applied in diverse application domains. In this paper, we consider an example from protein dynamics, specifically residue interaction networks (RINs). In this context, we use NetworKit -- an established package for network analysis -- to build a cloud-based environment that enables domain scientists to run their visualization and analysis workflows on large compute servers, without requiring extensive programming and/or system administration knowledge. To demonstrate the versatility of this approach, we use it to build a custom Jupyter-based widget for RIN visualization. In contrast to existing RIN visualization approaches, our widget can easily be customized through simple modifications of Python code, while both supporting a good feature set and providing near real-time speed. It is also easily integrated into analysis pipelines (e.g., that use Python to feed RIN data into downstream machine learning tasks).  ( 2 min )

Emerging sampling algorithms based on normalizing flows have the potential to solve ergodicity problems in lattice calculations. Furthermore, it has been noted that flows can be used to compute thermodynamic quantities which are difficult to access with traditional methods. This suggests that they are also applicable to the density-of-states approach to complex action problems. In particular, flow-based sampling may be used to compute the density directly, in contradistinction to the conventional strategy of reconstructing it via measuring and integrating the derivative of its logarithm. By circumventing this procedure, the accumulation of errors from the numerical integration is avoided completely and the overall normalization factor can be determined explicitly. In this proof-of-principle study, we demonstrate our method in the context of two-component scalar field theory where the $O(2)$ symmetry is explicitly broken by an imaginary external field. First, we concentrate on the zero-dimensional case which can be solved exactly. We show that with our method, the Lee-Yang zeroes of the associated partition function can be successfully located. Subsequently, we confirm that the flow-based approach correctly reproduces the density computed with conventional methods in one- and two-dimensional models.  ( 2 min )

Model-free Deep Reinforcement Learning (DRL) controllers have demonstrated promising results on various challenging non-linear control tasks. While a model-free DRL algorithm can solve unknown dynamics and high-dimensional problems, it lacks safety assurance. Although safety constraints can be encoded as part of a reward function, there still exists a large gap between an RL controller trained with this modified reward and a safe controller. In contrast, instead of implicitly encoding safety constraints with rewards, we explicitly co-learn a Twin Neural Lyapunov Function (TNLF) with the control policy in the DRL training loop and use the learned TNLF to build a runtime monitor. Combined with the path generated from a planner, the monitor chooses appropriate waypoints that guide the learned controller to provide collision-free control trajectories. Our approach inherits the scalability advantages from DRL while enhancing safety guarantees. Our experimental evaluation demonstrates the effectiveness of our approach compared to DRL with augmented rewards and constrained DRL methods over a range of high-dimensional safety-sensitive navigation tasks.  ( 2 min )

Conditional variational autoencoders (CVAEs) are versatile deep generative models that extend the standard VAE framework by conditioning the generative model with auxiliary covariates. The original CVAE model assumes that the data samples are independent, whereas more recent conditional VAE models, such as the Gaussian process (GP) prior VAEs, can account for complex correlation structures across all data samples. While several methods have been proposed to learn standard VAEs from partially observed datasets, these methods fall short for conditional VAEs. In this work, we propose a method to learn conditional VAEs from datasets in which auxiliary covariates can contain missing values as well. The proposed method augments the conditional VAEs with a prior distribution for the missing covariates and estimates their posterior using amortised variational inference. At training time, our method marginalises the uncertainty associated with the missing covariates while simultaneously maximising the evidence lower bound. We develop computationally efficient methods to learn CVAEs and GP prior VAEs that are compatible with mini-batching. Our experiments on simulated datasets as well as on a clinical trial study show that the proposed method outperforms previous methods in learning conditional VAEs from non-temporal, temporal, and longitudinal datasets.  ( 2 min )

Multi-Angled Parallelism (MAP) is a method to recognize lines in binary images. It is suitable to be implemented in parallel processing and image processing hardware. The binary image is transformed into directional planes, upon which, directional operators of erosion-dilation are iteratively applyed. From a set of basic operators, more complex ones are created, which let to extract the several types of lines. Each type is extracted with a different set of operations and so the lines are identified when extracted. In this paper, an overview of MAP is made, and it is adapted to line recognition in Spanish topographical maps, with the double purpose of testing the method in a real case and studying the process of adapting it to a custom application.  ( 2 min )

Transform coding to sparsify signal representations remains crucial in an image compression pipeline. While the Karhunen-Lo\`{e}ve transform (KLT) computed from an empirical covariance matrix $\bar{C}$ is theoretically optimal for a stationary process, in practice, collecting sufficient statistics from a non-stationary image to reliably estimate $\bar{C}$ can be difficult. In this paper, to encode an intra-prediction residual block, we pursue a hybrid model-based / data-driven approach: the first $K$ eigenvectors of a transform matrix are derived from a statistical model, e.g., the asymmetric discrete sine transform (ADST), for stability, while the remaining $N-K$ are computed from $\bar{C}$ for performance. The transform computation is posed as a graph learning problem, where we seek a graph Laplacian matrix minimizing a graphical lasso objective inside a convex cone sharing the first $K$ eigenvectors in a Hilbert space of real symmetric matrices. We efficiently solve the problem via augmented Lagrangian relaxation and proximal gradient (PG). Using WebP as a baseline image codec, experimental results show that our hybrid graph transform achieved better energy compaction than default discrete cosine transform (DCT) and better stability than KLT.  ( 2 min )

In medical practice, treatments are selected based on the expected causal effects on patient outcomes. Here, the gold standard for estimating causal effects are randomized controlled trials; however, such trials are costly and sometimes even unethical. Instead, medical practice is increasingly interested in estimating causal effects among patient subgroups from electronic health records, that is, observational data. In this paper, we aim at estimating the average causal effect (ACE) from observational data (patient trajectories) that are collected over time. For this, we propose DeepACE: an end-to-end deep learning model. DeepACE leverages the iterative G-computation formula to adjust for the bias induced by time-varying confounders. Moreover, we develop a novel sequential targeting procedure which ensures that DeepACE has favorable theoretical properties, i.e., is doubly robust and asymptotically efficient. To the best of our knowledge, this is the first work that proposes an end-to-end deep learning model for estimating time-varying ACEs. We compare DeepACE in an extensive number of experiments, confirming that it achieves state-of-the-art performance. We further provide a case study for patients suffering from low back pain to demonstrate that DeepACE generates important and meaningful findings for clinical practice. Our work enables medical practitioners to develop effective treatment recommendations tailored to patient subgroups.  ( 2 min )

One of the primary challenges in large-scale distributed learning stems from stringent communication constraints. While several recent works address this challenge for static optimization problems, sequential decision-making under uncertainty has remained much less explored in this regard. Motivated by this gap, we introduce a new linear stochastic bandit formulation over a bit-constrained channel. Specifically, in our setup, an agent interacting with an environment transmits encoded estimates of an unknown model parameter to a server over a communication channel of finite capacity. The goal of the server is to take actions based on these estimates to minimize cumulative regret. To this end, we develop a novel and general algorithmic framework that hinges on two main components: (i) an adaptive encoding mechanism that exploits statistical concentration bounds, and (ii) a decision-making principle based on confidence sets that account for encoding errors. As our main result, we prove that when the unknown model is $d$-dimensional, a channel capacity of $O(d)$ bits suffices to achieve order-optimal regret. To demonstrate the generality of our approach, we then show that the same result continues to hold for non-linear observation models satisfying standard regularity conditions. Finally, we establish that for the simpler unstructured multi-armed bandit problem, $1$ bit channel-capacity is sufficient for achieving optimal regret bounds. Overall, our work takes a significant first step towards paving the way for statistical decision-making over finite-capacity channels.  ( 2 min )

We study the computational complexity of the optimal transport problem that evaluates the Wasserstein distance between the distributions of two K-dimensional discrete random vectors. The best known algorithms for this problem run in polynomial time in the maximum of the number of atoms of the two distributions. However, if the components of either random vector are independent, then this number can be exponential in K even though the size of the problem description scales linearly with K. We prove that the described optimal transport problem is #P-hard even if all components of the first random vector are independent uniform Bernoulli random variables, while the second random vector has merely two atoms, and even if only approximate solutions are sought. We also develop a dynamic programming-type algorithm that approximates the Wasserstein distance in pseudo-polynomial time when the components of the first random vector follow arbitrary independent discrete distributions, and we identify special problem instances that can be solved exactly in strongly polynomial time.  ( 2 min )

Spiking neural networks (SNNs) are known as a typical kind of brain-inspired models with their unique features of rich neuronal dynamics, diverse coding schemes and low power consumption properties. How to obtain a high-accuracy model has always been the main challenge in the field of SNN. Currently, there are two mainstream methods, i.e., obtaining a converted SNN through converting a well-trained Artificial Neural Network (ANN) to its SNN counterpart or training an SNN directly. However, the inference time of a converted SNN is too long, while SNN training is generally very costly and inefficient. In this work, a new SNN training paradigm is proposed by combining the concepts of the two different training methods with the help of the pretrain technique and BP-based deep SNN training mechanism. We believe that the proposed paradigm is a more efficient pipeline for training SNNs. The pipeline includes pipeS for static data transfer tasks and pipeD for dynamic data transfer tasks. SOTA results are obtained in a large-scale event-driven dataset ES-ImageNet. For training acceleration, we achieve the same (or higher) best accuracy as similar LIF-SNNs using 1/10 training time on ImageNet-1K and 2/5 training time on ES-ImageNet and also provide a time-accuracy benchmark for a new dataset ES-UCF101. These experimental results reveal the similarity of the functions of parameters between ANNs and SNNs and also demonstrate the various potential applications of this SNN training pipeline.  ( 2 min )

Linear modal analysis is a useful and effective tool for the design and analysis of structures. However, a comprehensive basis for nonlinear modal analysis remains to be developed. In the current work, a machine learning scheme is proposed with a view to performing nonlinear modal analysis. The scheme is focussed on defining a one-to-one mapping from a latent `modal' space to the natural coordinate space, whilst also imposing orthogonality of the mode shapes. The mapping is achieved via the use of the recently-developed cycle-consistent generative adversarial network (cycle-GAN) and an assembly of neural networks targeted on maintaining the desired orthogonality. The method is tested on simulated data from structures with cubic nonlinearities and different numbers of degrees of freedom, and also on data from an experimental three-degree-of-freedom set-up with a column-bumper nonlinearity. The results reveal the method's efficiency in separating the `modes'. The method also provides a nonlinear superposition function, which in most cases has very good accuracy.  ( 2 min )

We consider the problem of controlling an unknown linear dynamical system under a stochastic convex cost and full feedback of both the state and cost function. We present a computationally efficient algorithm that attains an optimal $\sqrt{T}$ regret-rate against the best stabilizing linear controller. In contrast to previous work, our algorithm is based on the Optimism in the Face of Uncertainty paradigm. This results in a substantially improved computational complexity and a simpler analysis.  ( 2 min )

In this paper we propose the inversion of nonlinear distortions in order to improve the recognition rates of a speaker recognizer system. We study the effect of saturations on the test signals, trying to take into account real situations where the training material has been recorded in a controlled situation but the testing signals present some mismatch with the input signal level (saturations). The experimental results shows that a combination of data fusion with and without nonlinear distortion compensation can improve the recognition rates with saturated test sentences from 80% to 88.57%, while the results with clean speech (without saturation) is 87.76% for one microphone.  ( 2 min )

Federated learning (FL) is an emerging privacy-preserving paradigm that enables multiple participants collaboratively to train a global model without uploading raw data. Considering heterogeneous computing and communication capabilities of different participants, asynchronous FL can avoid the stragglers effect in synchronous FL and adapts to scenarios with vast participants. Both staleness and non-IID data in asynchronous FL would reduce the model utility. However, there exists an inherent contradiction between the solutions to the two problems. That is, mitigating the staleness requires to select less but consistent gradients while coping with non-IID data demands more comprehensive gradients. To address the dilemma, this paper proposes a two-stage weighted $K$ asynchronous FL with adaptive learning rate (WKAFL). By selecting consistent gradients and adjusting learning rate adaptively, WKAFL utilizes stale gradients and mitigates the impact of non-IID data, which can achieve multifaceted enhancement in training speed, prediction accuracy and training stability. We also present the convergence analysis for WKAFL under the assumption of unbounded staleness to understand the impact of staleness and non-IID data. Experiments implemented on both benchmark and synthetic FL datasets show that WKAFL has better overall performance compared to existing algorithms.  ( 2 min )

Fast and precise Lipschitz constant estimation of neural networks is an important task for deep learning. Researchers have recently found an intrinsic trade-off between the accuracy and smoothness of neural networks, so training a network with a loose Lipschitz constant estimation imposes a strong regularization and can hurt the model accuracy significantly. In this work, we provide a unified theoretical framework, a quantitative geometric approach, to address the Lipschitz constant estimation. By adopting this framework, we can immediately obtain several theoretical results, including the computational hardness of Lipschitz constant estimation and its approximability. Furthermore, the quantitative geometric perspective can also provide some insights into recent empirical observations that techniques for one norm do not usually transfer to another one. We also implement the algorithms induced from this quantitative geometric approach in a tool GeoLIP. These algorithms are based on semidefinite programming (SDP). Our empirical evaluation demonstrates that GeoLIP is more scalable and precise than existing tools on Lipschitz constant estimation for $\ell_\infty$-perturbations. Furthermore, we also show its intricate relations with other recent SDP-based techniques, both theoretically and empirically. We believe that this unified quantitative geometric perspective can bring new insights and theoretical tools to the investigation of neural-network smoothness and robustness.  ( 2 min )

We propose the Factor Augmented sparse linear Regression Model (FARM) that not only encompasses both the latent factor regression and sparse linear regression as special cases but also bridges dimension reduction and sparse regression together. We provide theoretical guarantees for the estimation of our model under the existence of sub-Gaussian and heavy-tailed noises (with bounded (1+x)-th moment, for all x>0), respectively. In addition, the existing works on supervised learning often assume the latent factor regression or the sparse linear regression is the true underlying model without justifying its adequacy. To fill in such an important gap, we also leverage our model as the alternative model to test the sufficiency of the latent factor regression and the sparse linear regression models. To accomplish these goals, we propose the Factor-Adjusted de-Biased Test (FabTest) and a two-stage ANOVA type test respectively. We also conduct large-scale numerical experiments including both synthetic and FRED macroeconomics data to corroborate the theoretical properties of our methods. Numerical results illustrate the robustness and effectiveness of our model against latent factor regression and sparse linear regression models.  ( 2 min )

Equivariance to permutations and rigid motions is an important inductive bias for various 3D learning problems. Recently it has been shown that the equivariant Tensor Field Network architecture is universal -- it can approximate any equivariant function. In this paper we suggest a much simpler architecture, prove that it enjoys the same universality guarantees and evaluate its performance on Modelnet40. The code to reproduce our experiments is available at \url{https://github.com/simpleinvariance/UniversalNetwork}  ( 2 min )

Since their introduction the Trasformer architectures emerged as the dominating architectures for both natural language processing and, more recently, computer vision applications. An intrinsic limitation of this family of "fully-attentive" architectures arises from the computation of the dot-product attention, which grows both in memory consumption and number of operations as $O(n^2)$ where $n$ stands for the input sequence length, thus limiting the applications that require modeling very long sequences. Several approaches have been proposed so far in the literature to mitigate this issue, with varying degrees of success. Our idea takes inspiration from the world of \textit{lossy} data compression (such as the JPEG algorithm) to derive an approximation of the attention module by leveraging the properties of the Discrete Cosine Transform. An extensive section of experiments shows that our method takes up less memory for the same performance, while also drastically reducing inference time. This makes it particularly suitable in real-time contexts on embedded platforms. Moreover, we assume that the results of our research might serve as a starting point for a broader family of deep neural models with reduced memory footprint. The implementation will be made publicly available at https://github.com/cscribano/DCT-Former-Public  ( 2 min )

The deployment of powerful AI systems has enriched our understanding of safety and misuse far more than would have been possible through research alone. Notably: API-based language model misuse often comes in different forms than we feared most. We have identified limitations in existing language model evaluations that we are  ( 9 min )

Call for expressions of interest to study the economic impacts of Codex.  ( 4 min )

I know there are many great experiment tracking tools for ML i.e. weights and biases, or clearML, but has anybody got any suggestions for the best way to track reinforcement learning experiments. Particularly I'm interested in RL for robotics where I regularly change the environment In an attempt to coax the desired behavior out of the robot. submitted by /u/sanddollarbeach [link] [comments]  ( 1 min )

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Is it cheating or peeking the answers to use evaluation episode returns to decide which hyperparameters/weights to be used? I am now working on using different weights on one term of my loss function, however, Q-value estimate is not suitable for me to decide which weight to be used, I have tried others, e.g. actor loss, critic loss, etc. The only metric I could trust is the real episode returns of these loss function s with varied weights. submitted by /u/Blasphemer666 [link] [comments]  ( 1 min )

I wanted to ask, how hot reinforcement learning is in terms of research? what kind of problems does the field have currently? I'm looking for a research topic and I became interested in RL, but none of my professors seems to research RL. [untill now I was working on privacy-preserving ML in CNNs] can it be used to solve relevant problems? what are some of the challenges that needs to be solved in RL ? thank you! submitted by /u/Elegant-Base-2339 [link] [comments]  ( 1 min )

Hi, I'm working on a MSc thesis for object detection and I want to ask if exists an equivalent of Mask R-CNN but that uses RNN. submitted by /u/Comar997 [link] [comments]

https://www.immunai.com/press/advancements-in-gene-regulatory-networks-immunais-third-symposium submitted by /u/pahita [link] [comments]  ( 1 min )

We have two talks next week (week of 7 Mar.) for our upcoming webinar series about the intersection of Bayesian inference and causal inference. Our speakers will help us understand how we can use these two frameworks in order to solve applied problems, and will consider if these different frameworks are in conflict or are complimentary. The intended audience is machine learning practitioners and statisticians from academia and industry. ​ Upcoming talks, with Zoom registration links: 7 March Andrew Gelman - Bayesian Methods in Causal Inference and Decision Making Consider the problem of A/B testing (that is, an experiment or observational study designed to estimate the effect of some exposure or treatment). The basic data analysis workflow is to start by comparing the average outcomes…  ( 1 min )

Abstract: In this paper, we present a method for unconstrained end-to-end head pose estimation. We address the problem of ambiguous rotation labels by introducing the rotation matrix formalism for our ground truth data and propose a continuous 6D rotation matrix representation for efficient and robust direct regression. This way, our method can learn the full rotation appearance which is contrary to previous approaches that restrict the pose prediction to a narrow-angle for satisfactory results. In addition, we propose a geodesic distance-based loss to penalize our network with respect to the SO(3) manifold geometry. Experiments on the public AFLW2000 and BIWI datasets demonstrate that our proposed method significantly outperforms other state-of-the-art methods by up to 20%. We open-source our training and testing code along with our pre-trained models: https://github.com/thohemp/6DRepNet. PDF on ResearchGate / Arxiv (Preprint) Testing code, training code and fine-tuned models: https://github.com/thohemp/6DRepNet https://i.redd.it/bp4kyr7vj6l81.gif submitted by /u/thohemp [link] [comments]  ( 1 min )

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I.e. for testing the impact of the machine learning model on different KPIs. Not entirely sure how to get started with this... submitted by /u/Adi-Dewan [link] [comments]  ( 1 min )

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I have a challenge 4 u if u can draw read this if u can't go away ... ... just joking he he the challenge is u have draw something with a circle there has 2 be a circle no circle does't count and are the rules are have 2 use a circle and u can do any thing to the circle it can be on paper , online it does't matter rule 2 it has to be appropriate no bad things u horny fuckers at the end this month i will pick a winner the and winner will be tag in everything I post 4 in till end of summer submitted by /u/Mrplaytime770 [link] [comments]  ( 1 min )

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Humans have the essential cognitive capacity to comprehend the world via multimodal sensory inputs and use this ability to perform a wide range of activities. Autonomous agents can observe an environment’s underlying condition through many sensors in a comparable way and evaluate how to complete a job correctly. Localization (or “where am I?”) is a fundamental question that an autonomous agent must answer before navigation, and it is frequently addressed via visual Odometry. Collision avoidance and knowledge of the temporal evolution of their condition concerning the surroundings are required for highly dynamic tasks such as car racing. As a result, it’s probable to create general-purpose pre-trained models for autonomous systems independent of functions and form factors. In a recent paper, COMPASS: Contrastive Multimodal Pretraining for Autonomous Systems, a general-purpose pre-training pipeline was proposed to circumvent such restrictions coming from task-specific models. COMPASS has three main features: It is a large-scale pre-training pipeline for perception-action loops in autonomous systems that may be used for various applications. COMPASS’s learned representations adapt to multiple situations and dramatically increase performance on relevant downstream tasks. It was created with multimodal data in mind. The framework is designed to use rich information from several sensor modalities, given the presence of a large number of sensors in autonomous systems. It is taught self-supervised without manual labeling, allowing it to use enormous amounts of data for pre-training. Continue reading my full summary article on this research Paper: https://www.microsoft.com/en-us/research/uploads/prod/2022/02/COMPASS.pdf Github: https://github.com/microsoft/COMPASS https://preview.redd.it/vtwwp0w4i7l81.png?width=1536&format=png&auto=webp&s=f2329c18705bcfab87a41e85ca42243489b51456 submitted by /u/No_Coffee_4638 [link] [comments]  ( 1 min )

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If anyone here has done stock prediction based on Twitter sentiment analysis, I wonder is it doable? I saw a dataset of tweets about Apple and want to train a random forest classifier with it, but I'm not sure that it will produce good results for stock price prediction. Also, what could be a more suitable project idea for sentiment analysis? I feel like it's really hard to predict stock prices with people's opinions. I would really appreciate it if someone could share any advice on this! submitted by /u/studentani [link] [comments]  ( 2 min )

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Posted by Joel Shor, Staff Software Engineer, Google Research In recent years, we have seen dramatic improvements on lexical tasks such as automatic speech recognition (ASR). However, machine systems still struggle to understand paralinguistic aspects — such as tone, emotion, whether a speaker is wearing a mask, etc. Understanding these aspects represents one of the remaining difficult problems in machine hearing. In addition, state-of-the-art results often come from ultra-large models trained on private data, making them impractical to run on mobile devices or to release publicly. In “Universal Paralinguistic Speech Representations Using Self-Supervised Conformers”, to appear in ICASSP 2022, we introduce CAP12— the 12th layer of a 600M parameter model trained on the YT-U training da…  ( 8 min )

submitted by /u/retlaoge47 [link] [comments]  ( 1 min )

I am trying to implement a simple neural network with a single hidden layer, but the network is not converging for xor. Please help me figure out what's wrong with my implementation. class SimpleNeuralNetwork: def __init__(self, n_in, n_hidden, n_out): self.n_in = n_in self.n_hidden = n_hidden self.n_out = n_out self.w1 = [[random.random() for _ in range(n_in)] for _ in range(n_hidden)] self.w2 = [[random.random() for _ in range(n_hidden)] for _ in range(n_out)] self.b1 = [random.random() for _ in range(n_hidden)] self.b2 = [random.random() for _ in range(n_out)] def predict(self, x): hidden = [self.b1[i] for i in range(self.n_hidden)] for i in range(self.n_hidden): for j in range(self.n_in): hidden[i] += self.w1[i][j] * x[j] hidden = [sigmoid(hidden[i]) for i in range(self.n_hidden)] out…  ( 2 min )

I am sorry if this question is too obvious. Let's say I want to train a neural network and each of the samples has 40 inputs features. Now, if 10 of these features are always the same for all the samples, should I then take them out of the feature set? Or are they still useful for the Neural Network to learn? Are there cases when these inputs help the model even when they are the same in each sample? I would appreciate it if anyone can answer this. Thank you. submitted by /u/CardiologistGlass934 [link] [comments]  ( 1 min )

Hey guys! This is my first post here :) I'm currently working on a school project which contains summarizing an article. I got most of it covered but there are some points I don't understand and a bit of math I could use some help in. The article is "Weight Uncertainty in Neural Networks" by Blundell et al. (2015). Is there anyone here familiar with this article, or similar Bayesian learning algorithms that can help me, please? Everything in this article is new material for me that I had to learn alone almost from scratch on the internet. Any help would be greatly appreciated since I don't have anyone to ask about this. Some of my questions are: At the end of section 2, after explaining MAPs, I didn't manage to do the algebra that gets us from Gaussian/Laplace prior to L2/L1 regula…  ( 2 min )

The momentum constant α is normally assigned a positive value in the range of (0,1). Consider a negative value of α in the range of (-1,0). Suppose the error surface of a 1-dimensional weight x is a tilted line (i.e., a decreasing function of the weight w with the same negative derivative everywhere). Derive the expression of the weight change at time step t. Compare it with the case of a positive value of α, and comment on the result. submitted by /u/halfjain [link] [comments]  ( 1 min )

A new MIT-wide effort launched by the Institute for Data, Systems, and Society uses social science and computation to address systemic racism.  ( 5 min )

At the 2021 AWS re:Invent conference in Las Vegas, we demoed Read For Me at the AWS Builders Fair—a website that helps the visually impaired hear documents. For better quality, view the video here. Adaptive technology and accessibility features are often expensive, if they’re available at all. Audio books help the visually impaired read. Audio […]  ( 7 min )

“Nobody ever changed the world by doing what everyone else was doing” — Mark Cuban  ( 3 min )

A new month means a whole new set of games coming to GeForce NOW. Members can look forward to 27 titles joining the GeForce NOW library in March, including day-and-date releases like Shadow Warrior 3, with support for NVIDIA DLSS. Bring a Katana to a Gunfight Shoot, slash and slide into Shadow Warrior 3, new Read article > The post GFN Thursday Marches Forward With 27 Games Coming to GeForce NOW This Month appeared first on NVIDIA Blog.  ( 3 min )

This intriguing paper kept me thinking long enough for me to I decide it's time to resurrect my blogging (I started writing this during ICLR review period, and realised it might be a good idea to wait until that's concluded) Sang Michael Xie, Aditi Raghunathan, Percy  ( 4 min )

Adapting Automatic Speech Recognition (ASR) models to new domains leads to a deterioration of performance on the original domain(s), a phenomenon called Catastrophic Forgetting (CF). Even monolingual ASR models cannot be extended to new accents, dialects, topics, etc. without suffering from CF, making them unable to be continually enhanced without storing all past data. Fortunately, Continual Learning (CL) methods, which aim to enable continual adaptation while overcoming CF, can be used. In this paper, we implement an extensive number of CL methods for End-to-End ASR and test and compare their ability to extend a monolingual Hybrid CTC-Transformer model across four new tasks. We find that the best performing CL method closes the gap between the fine-tuned model (lower bound) and the model trained jointly on all tasks (upper bound) by more than 40%, while requiring access to only 0.6% of the original data.

Detecting the positions of human hands and objects-in-contact (hand-object detection) in each video frame is vital for understanding human activities from videos. For training an object detector, a method called Mixup, which overlays two training images to mitigate data bias, has been empirically shown to be effective for data augmentation. However, in hand-object detection, mixing two hand-manipulation images produces unintended biases, e.g., the concentration of hands and objects in a specific region degrades the ability of the hand-object detector to identify object boundaries. We propose a data-augmentation method called Background Mixup that leverages data-mixing regularization while reducing the unintended effects in hand-object detection. Instead of mixing two images where a hand and an object in contact appear, we mix a target training image with background images without hands and objects-in-contact extracted from external image sources, and use the mixed images for training the detector. Our experiments demonstrated that the proposed method can effectively reduce false positives and improve the performance of hand-object detection in both supervised and semi-supervised learning settings.

Health misinformation on social media devastates physical and mental health, invalidates health gains, and potentially costs lives. Understanding how health misinformation is transmitted is an urgent goal for researchers, social media platforms, health sectors, and policymakers to mitigate those ramifications. Deep learning methods have been deployed to predict the spread of misinformation. While achieving the state-of-the-art predictive performance, deep learning methods lack the interpretability due to their blackbox nature. To remedy this gap, this study proposes a novel interpretable deep learning approach, Generative Adversarial Network based Piecewise Wide and Attention Deep Learning (GAN-PiWAD), to predict health misinformation transmission in social media. Improving upon state-of-the-art interpretable methods, GAN-PiWAD captures the interactions among multi-modal data, offers unbiased estimation of the total effect of each feature, and models the dynamic total effect of each feature when its value varies. We select features according to social exchange theory and evaluate GAN-PiWAD on 4,445 misinformation videos. The proposed approach outperformed strong benchmarks. Interpretation of GAN-PiWAD indicates video description, negative video content, and channel credibility are key features that drive viral transmission of misinformation. This study contributes to IS with a novel interpretable deep learning method that is generalizable to understand other human decision factors. Our findings provide direct implications for social media platforms and policymakers to design proactive interventions to identify misinformation, control transmissions, and manage infodemics.

We study memory allocation patterns in DNNs during inference, in the context of large-scale systems. We observe that such memory allocation patterns, in the context of multi-threading, are subject to high latencies, due to \texttt{mutex} contention in the system memory allocator. Latencies incurred due to such \texttt{mutex} contention produce undesirable bottlenecks in user-facing services. Thus, we propose a "memorization" based technique, \texttt{MemoMalloc}, for optimizing overall latency, with only moderate increases in peak memory usage. Specifically, our technique consists of a runtime component, which captures all allocations and uniquely associates them with their high-level source operation, and a static analysis component, which constructs an efficient allocation "plan". We present an implementation of \texttt{MemoMalloc} in the PyTorch deep learning framework and evaluate memory consumption and execution performance on a wide range of DNN architectures. We find that \texttt{MemoMalloc} outperforms state-of-the-art general purpose memory allocators, with respect to DNN inference latency, by as much as 40\%.

Data augmentation is often used to incorporate inductive biases into models. Traditionally, these are hand-crafted and tuned with cross validation. The Bayesian paradigm for model selection provides a path towards end-to-end learning of invariances using only the training data, by optimising the marginal likelihood. Computing the marginal likelihood is hard for neural networks, but success with tractable approaches that compute the marginal likelihood for the last layer only raises the question of whether this convenient approach might be employed for learning invariances. We show partial success on standard benchmarks, in the low-data regime and on a medical imaging dataset by designing a custom optimisation routine. Introducing a new lower bound to the marginal likelihood allows us to perform inference for a larger class of likelihood functions than before. On the other hand, we demonstrate failure modes on the CIFAR10 dataset, where the last layer approximation is not sufficient due to the increased complexity of our neural network. Our results indicate that once more sophisticated approximations become available the marginal likelihood is a promising approach for invariance learning in neural networks.

We study the distribution regression problem assuming the distribution of distributions has a doubling measure larger than one. First, we explore the geometry of any distributions that has doubling measure larger than one and build a small theory around it. Then, we show how to utilize this theory to find one of the nearest distributions adaptively and compute the regression value based on these distributions. Finally, we provide the accuracy of the suggested method here and provide the theoretical analysis for it.

We present a method for contraction-based feedback motion planning of locally incrementally exponentially stabilizable systems with unknown dynamics that provides probabilistic safety and reachability guarantees. Given a dynamics dataset, our method learns a deep control-affine approximation of the dynamics. To find a trusted domain where this model can be used for planning, we obtain an estimate of the Lipschitz constant of the model error, which is valid with a given probability, in a region around the training data, providing a local, spatially-varying model error bound. We derive a trajectory tracking error bound for a contraction-based controller that is subjected to this model error, and then learn a controller that optimizes this tracking bound. With a given probability, we verify the correctness of the controller and tracking error bound in the trusted domain. We then use the trajectory error bound together with the trusted domain to guide a sampling-based planner to return trajectories that can be robustly tracked in execution. We show results on a 4D car, a 6D quadrotor, and a 22D deformable object manipulation task, showing our method plans safely with learned models of high-dimensional underactuated systems, while baselines that plan without considering the tracking error bound or the trusted domain can fail to stabilize the system and become unsafe.

Graph neural networks (GNNs) have achieved state-of-the-art performance in various graph-based tasks. However, as mainstream GNNs are designed based on the neural message passing mechanism, they do not scale well to data size and message passing steps. Although there has been an emerging interest in the design of scalable GNNs, current researches focus on specific GNN design, rather than the general design space, limiting the discovery of potential scalable GNN models. This paper proposes PasCa, a new paradigm and system that offers a principled approach to systemically construct and explore the design space for scalable GNNs, rather than studying individual designs. Through deconstructing the message passing mechanism, PasCa presents a novel Scalable Graph Neural Architecture Paradigm (SGAP), together with a general architecture design space consisting of 150k different designs. Following the paradigm, we implement an auto-search engine that can automatically search well-performing and scalable GNN architectures to balance the trade-off between multiple criteria (e.g., accuracy and efficiency) via multi-objective optimization. Empirical studies on ten benchmark datasets demonstrate that the representative instances (i.e., PasCa-V1, V2, and V3) discovered by our system achieve consistent performance among competitive baselines. Concretely, PasCa-V3 outperforms the state-of-the-art GNN method JK-Net by 0.4\% in terms of predictive accuracy on our large industry dataset while achieving up to $28.3\times$ training speedups.

Often in language and other areas of cognition, whether two components of an object are identical or not determines if it is well formed. We call such constraints identity effects. When developing a system to learn well-formedness from examples, it is easy enough to build in an identify effect. But can identity effects be learned from the data without explicit guidance? We provide a framework in which we can rigorously prove that algorithms satisfying simple criteria cannot make the correct inference. We then show that a broad class of learning algorithms including deep feedforward neural networks trained via gradient-based algorithms (such as stochastic gradient descent or the Adam method) satisfy our criteria, dependent on the encoding of inputs. In some broader circumstances we are able to provide adversarial examples that the network necessarily classifies incorrectly. Finally, we demonstrate our theory with computational experiments in which we explore the effect of different input encodings on the ability of algorithms to generalize to novel inputs. This allows us to show similar effects to those predicted by theory for more realistic methods that violate some of the conditions of our theoretical results.

In this paper, we introduce Target-Aware Weighted Training (TAWT), a weighted training algorithm for cross-task learning based on minimizing a representation-based task distance between the source and target tasks. We show that TAWT is easy to implement, is computationally efficient, requires little hyperparameter tuning, and enjoys non-asymptotic learning-theoretic guarantees. The effectiveness of TAWT is corroborated through extensive experiments with BERT on four sequence tagging tasks in natural language processing (NLP), including part-of-speech (PoS) tagging, chunking, predicate detection, and named entity recognition (NER). As a byproduct, the proposed representation-based task distance allows one to reason in a theoretically principled way about several critical aspects of cross-task learning, such as the choice of the source data and the impact of fine-tuning.

We consider the $k$-clustering problem with $\ell_p$-norm cost, which includes $k$-median, $k$-means and $k$-center, under an individual notion of fairness proposed by Jung et al. [2020]: given a set of points $P$ of size $n$, a set of $k$ centers induces a fair clustering if every point in $P$ has a center among its $n/k$ closest neighbors. Mahabadi and Vakilian [2020] presented a $(p^{O(p)},7)$-bicriteria approximation for fair clustering with $\ell_p$-norm cost: every point finds a center within distance at most $7$ times its distance to its $(n/k)$-th closest neighbor and the $\ell_p$-norm cost of the solution is at most $p^{O(p)}$ times the cost of an optimal fair solution. In this work, for any $\varepsilon>0$, we present an improved $(16^p +\varepsilon,3)$-bicriteria for this problem. Moreover, for $p=1$ ($k$-median) and $p=\infty$ ($k$-center), we present improved cost-approximation factors $7.081+\varepsilon$ and $3+\varepsilon$ respectively. To achieve our guarantees, we extend the framework of [Charikar et al., 2002, Swamy, 2016] and devise a $16^p$-approximation algorithm for the facility location with $\ell_p$-norm cost under matroid constraint which might be of an independent interest. Besides, our approach suggests a reduction from our individually fair clustering to a clustering with a group fairness requirement proposed by Kleindessner et al. [2019], which is essentially the median matroid problem [Krishnaswamy et al., 2011].

The surrogate model-based uncertainty quantification method has drawn much attention in many engineering fields. Polynomial chaos expansion (PCE) and deep learning (DL) are powerful methods for building a surrogate model. However, PCE needs to increase the expansion order to improve the accuracy of the surrogate model, which causes more labeled data to solve the expansion coefficients, and DL also requires a lot of labeled data to train the deep neural network (DNN). First of all, this paper proposes the adaptive arbitrary polynomial chaos (aPC) and proves two properties about the adaptive expansion coefficients. Based on the adaptive aPC, a semi-supervised deep adaptive arbitrary polynomial chaos expansion (Deep aPCE) method is proposed to reduce the training data cost and improve the surrogate model accuracy. For one hand, the Deep aPCE method uses two properties of the adaptive aPC to assist in training the DNN based on only a small amount of labeled data and many unlabeled data, significantly reducing the training data cost. On the other hand, the Deep aPCE method adopts the DNN to fine-tune the adaptive expansion coefficients dynamically, improving the Deep aPCE model accuracy with lower expansion order. Besides, the Deep aPCE method can directly construct accurate surrogate models of the high dimensional stochastic systems without complex dimension-reduction and model decomposition operations. Five numerical examples and an actual engineering problem are used to verify the effectiveness of the Deep aPCE method.

In this paper, we propose an analysis of Covid19 evolution and prediction on Romania combined with the mathematical model of SIRD, an extension of the classical model SIR, which includes the deceased as a separate category. The reason is that, because we can not fully trust the reported numbers of infected or recovered people, we base our analysis on the more reliable number of deceased people. In addition, one of the parameters of our model includes the proportion of infected and tested versus infected. Since there are many factors which have an impact on the evolution of the pandemic, we decide to treat the estimation and the prediction based on the previous 7 days of data, particularly important here being the number of deceased. We perform the estimation and prediction using neural networks in two steps. Firstly, by simulating data with our model, we train several neural networks which learn the parameters of the model. Secondly, we use an ensemble of ten of these neural networks to forecast the parameters from the real data of Covid19 in Romania. Many of these results are backed up by a theorem which guarantees that we can recover the parameters from the reported data.

There is a large space of NUMA and hardware prefetcher configurations that can significantly impact the performance of an application. Previous studies have demonstrated how a model can automatically select configurations based on the dynamic properties of the code to achieve speedups. This paper demonstrates how the static Intermediate Representation (IR) of the code can guide NUMA/prefetcher optimizations without the prohibitive cost of performance profiling. We propose a method to create a comprehensive dataset that includes a diverse set of intermediate representations along with optimum configurations. We then apply a graph neural network model in order to validate this dataset. We show that our static intermediate representation based model achieves 80% of the performance gains provided by expensive dynamic performance profiling based strategies. We further develop a hybrid model that uses both static and dynamic information. Our hybrid model achieves the same gains as the dynamic models but at a reduced cost by only profiling 30% of the programs.

Purpose: To develop a neural ordinary differential equation (ODE) model for visualizing deep neural network (DNN) behavior during multi-parametric MRI (mp-MRI) based glioma segmentation as a method to enhance deep learning explainability. Methods: By hypothesizing that deep feature extraction can be modeled as a spatiotemporally continuous process, we designed a novel deep learning model, neural ODE, in which deep feature extraction was governed by an ODE without explicit expression. The dynamics of 1) MR images after interactions with DNN and 2) segmentation formation can be visualized after solving ODE. An accumulative contribution curve (ACC) was designed to quantitatively evaluate the utilization of each MRI by DNN towards the final segmentation results. The proposed neural ODE model was demonstrated using 369 glioma patients with a 4-modality mp-MRI protocol: T1, contrast-enhanced T1 (T1-Ce), T2, and FLAIR. Three neural ODE models were trained to segment enhancing tumor (ET), tumor core (TC), and whole tumor (WT). The key MR modalities with significant utilization by DNN were identified based on ACC analysis. Segmentation results by DNN using only the key MR modalities were compared to the ones using all 4 MR modalities. Results: All neural ODE models successfully illustrated image dynamics as expected. ACC analysis identified T1-Ce as the only key modality in ET and TC segmentations, while both FLAIR and T2 were key modalities in WT segmentation. Compared to the U-Net results using all 4 MR modalities, Dice coefficient of ET (0.784->0.775), TC (0.760->0.758), and WT (0.841->0.837) using the key modalities only had minimal differences without significance. Conclusion: The neural ODE model offers a new tool for optimizing the deep learning model inputs with enhanced explainability. The presented methodology can be generalized to other medical image-related deep learning applications.

Variable importance measures are the main tools to analyze the black-box mechanisms of random forests. Although the mean decrease accuracy (MDA) is widely accepted as the most efficient variable importance measure for random forests, little is known about its statistical properties. In fact, the definition of MDA varies across the main random forest software. In this article, our objective is to rigorously analyze the behavior of the main MDA implementations. Consequently, we mathematically formalize the various implemented MDA algorithms, and then establish their limits when the sample size increases. This asymptotic analysis reveals that these MDA versions differ as importance measures, since they converge towards different quantities. More importantly, we break down these limits into three components: the first two terms are related to Sobol indices, which are well-defined measures of a covariate contribution to the response variance, widely used in the sensitivity analysis field, as opposed to the third term, whose value increases with dependence within covariates. Thus, we theoretically demonstrate that the MDA does not target the right quantity to detect influential covariates in a dependent setting, a fact that has already been noticed experimentally. To address this issue, we define a new importance measure for random forests, the Sobol-MDA, which fixes the flaws of the original MDA, and consistently estimates the accuracy decrease of the forest retrained without a given covariate, but with an efficient computational cost. The Sobol-MDA empirically outperforms its competitors on both simulated and real data for variable selection. An open source implementation in R and C++ is available online.

In order to equip NLP systems with selective prediction capability, several task-specific approaches have been proposed. However, which approaches work best across tasks or even if they consistently outperform the simplest baseline 'MaxProb' remains to be explored. To this end, we systematically study 'selective prediction' in a large-scale setup of 17 datasets across several NLP tasks. Through comprehensive experiments under in-domain (IID), out-of-domain (OOD), and adversarial (ADV) settings, we show that despite leveraging additional resources (held-out data/computation), none of the existing approaches consistently and considerably outperforms MaxProb in all three settings. Furthermore, their performance does not translate well across tasks. For instance, Monte-Carlo Dropout outperforms all other approaches on Duplicate Detection datasets but does not fare well on NLI datasets, especially in the OOD setting. Thus, we recommend that future selective prediction approaches should be evaluated across tasks and settings for reliable estimation of their capabilities.

The real-world data distribution is essentially long-tailed, which poses great challenge to the deep model. In this work, we propose a new method, Gradual Balanced Loss and Adaptive Feature Generator (GLAG) to alleviate imbalance. GLAG first learns a balanced and robust feature model with Gradual Balanced Loss, then fixes the feature model and augments the under-represented tail classes on the feature level with the knowledge from well-represented head classes. And the generated samples are mixed up with real training samples during training epochs. Gradual Balanced Loss is a general loss and it can combine with different decoupled training methods to improve the original performance. State-of-the-art results have been achieved on long-tail datasets such as CIFAR100-LT, ImageNetLT, and iNaturalist, which demonstrates the effectiveness of GLAG for long-tailed visual recognition.

Machine learning (ML) and Deep Learning (DL) tasks primarily depend on data. Most of the ML and DL applications involve supervised learning which requires labelled data. In the initial phases of ML realm lack of data used to be a problem, now we are in a new era of big data. The supervised ML algorithms require data to be labelled and of good quality. Labelling task requires a large amount of money and time investment. Data labelling require a skilled person who will charge high for this task, consider the case of the medical field or the data is in bulk that requires a lot of people assigned to label it. The amount of data that is well enough for training needs to be known, money and time can not be wasted to label the whole data. This paper mainly aims to propose a strategy that helps in labelling the data along with oracle in real-time. With balancing on model contribution for labelling is 89 and 81.1 for furniture type and intel scene image data sets respectively. Further with balancing being kept off model contribution is found to be 83.47 and 78.71 for furniture type and flower data sets respectively.

Deep neural networks (DNNs) can be useful within the marine robotics field, but their utility value is restricted by their black-box nature. Explainable artificial intelligence methods attempt to understand how such black-boxes make their decisions. In this work, linear model trees (LMTs) are used to approximate the DNN controlling an autonomous surface vessel (ASV) in a simulated environment and then run in parallel with the DNN to give explanations in the form of feature attributions in real-time. How well a model can be understood depends not only on the explanation itself, but also on how well it is presented and adapted to the receiver of said explanation. Different end-users may need both different types of explanations, as well as different representations of these. The main contributions of this work are (1) significantly improving both the accuracy and the build time of a greedy approach for building LMTs by introducing ordering of features in the splitting of the tree, (2) giving an overview of the characteristics of the seafarer/operator and the developer as two different end-users of the agent and receiver of the explanations, and (3) suggesting a visualization of the docking agent, the environment, and the feature attributions given by the LMT for when the developer is the end-user of the system, and another visualization for when the seafarer or operator is the end-user, based on their different characteristics.

We analyze Local SGD (aka parallel or federated SGD) and Minibatch SGD in the heterogeneous distributed setting, where each machine has access to stochastic gradient estimates for a different, machine-specific, convex objective; the goal is to optimize w.r.t. the average objective; and machines can only communicate intermittently. We argue that, (i) Minibatch SGD (even without acceleration) dominates all existing analysis of Local SGD in this setting, (ii) accelerated Minibatch SGD is optimal when the heterogeneity is high, and (iii) present the first upper bound for Local SGD that improves over Minibatch SGD in a non-homogeneous regime.

Recent advance on linear support vector machine with the 0-1 soft margin loss ($L_{0/1}$-SVM) shows that the 0-1 loss problem can be solved directly. However, its theoretical and algorithmic requirements restrict us extending the linear solving framework to its nonlinear kernel form directly, the absence of explicit expression of Lagrangian dual function of $L_{0/1}$-SVM is one big deficiency among of them. In this paper, by applying the nonparametric representation theorem, we propose a nonlinear model for support vector machine with 0-1 soft margin loss, called $L_{0/1}$-KSVM, which cunningly involves the kernel technique into it and more importantly, follows the success on systematically solving its linear task. Its optimal condition is explored theoretically and a working set selection alternating direction method of multipliers (ADMM) algorithm is introduced to acquire its numerical solution. Moreover, we firstly present a closed-form definition to the support vector (SV) of $L_{0/1}$-KSVM. Theoretically, we prove that all SVs of $L_{0/1}$-KSVM are only located on the parallel decision surfaces. The experiment part also shows that $L_{0/1}$-KSVM has much fewer SVs, simultaneously with a decent predicting accuracy, when comparing to its linear peer $L_{0/1}$-SVM and the other six nonlinear benchmark SVM classifiers.

The low dimensional manifold hypothesis posits that the data found in many applications, such as those involving natural images, lie (approximately) on low dimensional manifolds embedded in a high dimensional Euclidean space. In this setting, a typical neural network defines a function that takes a finite number of vectors in the embedding space as input. However, one often needs to consider evaluating the optimized network at points outside the training distribution. This paper considers the case in which the training data is distributed in a linear subspace of $\mathbb R^d$. We derive estimates on the variation of the learning function, defined by a neural network, in the direction transversal to the subspace. We study the potential regularization effects associated with the network's depth and noise in the codimension of the data manifold. We also present additional side effects in training due to the presence of noise.

Information field theory (IFT), the information theory for fields, is a mathematical framework for signal reconstruction and non-parametric inverse problems. Artificial intelligence (AI) and machine learning (ML) aim at generating intelligent systems including such for perception, cognition, and learning. This overlaps with IFT, which is designed to address perception, reasoning, and inference tasks. Here, the relation between concepts and tools in IFT and those in AI and ML research are discussed. In the context of IFT, fields denote physical quantities that change continuously as a function of space (and time) and information theory refers to Bayesian probabilistic logic equipped with the associated entropic information measures. Reconstructing a signal with IFT is a computational problem similar to training a generative neural network (GNN) in ML. In this paper, the process of inference in IFT is reformulated in terms of GNN training. In contrast to classical neural networks, IFT based GNNs can operate without pre-training thanks to incorporating expert knowledge into their architecture. Furthermore, the cross-fertilization of variational inference methods used in IFT and ML are discussed. These discussions suggests that IFT is well suited to address many problems in AI and ML research and application.

Elderly gait is a source of rich information about their physical and mental health condition. As an alternative to the multiple sensors on the lower body parts, a single sensor on the pelvis has a positional advantage and an abundance of information acquirable. This study aimed to explore a way of improving the accuracy of gait event detection in the elderly using a single sensor on the waist and deep learning models. Data was gathered from elderly subjects equipped with three IMU sensors while they walked. The input was taken only from the waist sensor was used to train 16 deep-learning models including CNN, RNN, and CNN-RNN hybrid with or without the Bidirectional and Attention mechanism. The groundtruth was extracted from foot IMU sensors. Fairly high accuracy of 99.73% and 93.89% was achieved by the CNN-BiGRU-Att model at the tolerance window of $\pm$6TS ($\pm$6ms) and $\pm$1TS ($\pm$1ms) respectively. Advancing from the previous studies exploring gait event detection, the model showed a great improvement in terms of its prediction error having an MAE of 6.239ms and 5.24ms for HS and TO events respectively at the tolerance window of $\pm$1TS. The results showed that the use of CNN-RNN hybrid models with Attention and Bidirectional mechanisms is promising for accurate gait event detection using a single waist sensor. The study can contribute to reducing the burden of gait detection and increase its applicability in future wearable devices that can be used for remote health monitoring (RHM) or diagnosis based thereon.

We propose a novel high-fidelity expressive speech synthesis model, UniTTS, that learns and controls overlapping style attributes avoiding interference. UniTTS represents multiple style attributes in a single unified embedding space by the residuals between the phoneme embeddings before and after applying the attributes. The proposed method is especially effective in controlling multiple attributes that are difficult to separate cleanly, such as speaker ID and emotion, because it minimizes redundancy when adding variance in speaker ID and emotion, and additionally, predicts duration, pitch, and energy based on the speaker ID and emotion. In experiments, the visualization results exhibit that the proposed methods learned multiple attributes harmoniously in a manner that can be easily separated again. As well, UniTTS synthesized high-fidelity speech signals controlling multiple style attributes. The synthesized speech samples are presented at https://anonymous-authors2022.github.io/paper_works/UniTTS/demos/.

Voice assistants like Siri, Google Assistant, Alexa etc. are used widely across the globe for home automation, these require the use of special phrases also known as hotwords to wake it up and perform an action like "Hey Alexa!", "Ok Google!" and "Hey Siri!" etc. These hotwords are detected with lightweight real-time engines whose purpose is to detect the hotwords uttered by the user. This paper presents the design and implementation of a hotword detection engine based on one-shot learning which detects the hotword uttered by the user in real-time with just one or few training samples of the hotword. This approach is efficient when compared to existing implementations because the process of adding a new hotword in the existing systems requires enormous amounts of positive and negative training samples and the model needs to retrain for every hotword. This makes the existing implementations inefficient in terms of computation and cost. The architecture proposed in this paper has achieved an accuracy of 94.51%.

New intelligence applications are driving increasing interest in deploying deep neural networks (DNN) in a distributed way. To set up distributed deep learning involves alterations of a great number of the parameter configurations of network/edge devices and DNN models, which are crucial to achieve best performances. Simulations measure scalability of intelligence applications in the early stage, as well as to determine the effects of different configurations, thus highly desired. However, work on simulating the distributed intelligence environment is still in its infancy. The existing simulation frameworks, such as NS-3, etc., cannot extended in a straightforward way to support simulations of distributed learning. In this paper, we propose a novel discrete event simulator, sim4DistrDL, which includes a deep learning module and a network simulation module to facilitate simulation of DNN-based distributed applications. Specifically, we give the design and implementation of the proposed learning simulator and present an illustrative use case.

We consider the problem of helping agents improve by setting short-term goals. Given a set of target skill levels, we assume each agent will try to improve from their initial skill level to the closest target level within reach or do nothing if no target level is within reach. We consider two models: the common improvement capacity model, where agents have the same limit on how much they can improve, and the individualized improvement capacity model, where agents have individualized limits. Our goal is to optimize the target levels for social welfare and fairness objectives, where social welfare is defined as the total amount of improvement, and fairness objectives are considered where the agents belong to different underlying populations. A key technical challenge of this problem is the non-monotonicity of social welfare in the set of target levels, i.e., adding a new target level may decrease the total amount of improvement as it may get easier for some agents to improve. This is especially challenging when considering multiple groups because optimizing target levels in isolation for each group and outputting the union may result in arbitrarily low improvement for a group, failing the fairness objective. Considering these properties, we provide algorithms for optimal and near-optimal improvement for both social welfare and fairness objectives. These algorithmic results work for both the common and individualized improvement capacity models. Furthermore, we show a placement of target levels exists that is approximately optimal for the social welfare of each group. Unlike the algorithmic results, this structural statement only holds in the common improvement capacity model, and we show counterexamples in the individualized improvement capacity model. Finally, we extend our algorithms to learning settings where we have only sample access to the initial skill levels of agents.

Generating music with deep neural networks has been an area of active research in recent years. While the quality of generated samples has been steadily increasing, most methods are only able to exert minimal control over the generated sequence, if any. We propose the self-supervised description-to-sequence task, which allows for fine-grained controllable generation on a global level. We do so by extracting high-level features about the target sequence and learning the conditional distribution of sequences given the corresponding high-level description in a sequence-to-sequence modelling setup. We train FIGARO (FIne-grained music Generation via Attention-based, RObust control) by applying description-to-sequence modelling to symbolic music. By combining learned high level features with domain knowledge, which acts as a strong inductive bias, the model achieves state-of-the-art results in controllable symbolic music generation and generalizes well beyond the training distribution.

Equipping robots with the ability to infer human intent is a vital precondition for effective collaboration. Most computational approaches towards this objective derive a probabilistic distribution of "intent" conditioned on the robot's perceived sensory state. However, these approaches typically assume task-specific labels of human intent are known a priori. To overcome this constraint, we propose the Disentangled Sequence Clustering Variational Autoencoder (DiSCVAE), a clustering framework capable of learning such a distribution of intent in an unsupervised manner. The DiSCVAE leverages recent advances in unsupervised learning to recover a disentangled latent representation of sequential data, separating time-varying local features from time-invariant global aspects. Though unlike previous frameworks for disentanglement, the proposed variant also infers a discrete variable to form a latent mixture model and enable clustering of global sequence concepts, e.g. intentions from observed human behaviour. To evaluate the DiSCVAE, we first validate its capacity to discover classes from unlabelled sequences using video datasets of bouncing digits and 2D animations. We then report results from a real-world human-robot interaction experiment conducted on a robotic wheelchair. Our findings reveal that the inferred discrete variable coincides with human intent and can thus improve assistance in collaborative settings, such as shared control.

Systematic techniques to improve quality of deep neural networks (DNNs) are critical given the increasing demand for practical applications including safety-critical ones. The key challenge comes from the little controllability in updating DNNs. Retraining to fix some behavior often has a destructive impact on other behavior, causing regressions, i.e., the updated DNN fails with inputs correctly handled by the original one. This problem is crucial when engineers are required to investigate failures in intensive assurance activities for safety or trust. Search-based repair techniques for DNNs have potentials to tackle this challenge by enabling localized updates only on "responsible parameters" inside the DNN. However, the potentials have not been explored to realize sufficient controllability to suppress regressions in DNN repair tasks. In this paper, we propose a novel DNN repair method that makes use of the training history for judging which DNN parameters should be changed or not to suppress regressions. We implemented the method into a tool called NeuRecover and evaluated it with three datasets. Our method outperformed the existing method by achieving often less than a quarter, even a tenth in some cases, number of regressions. Our method is especially effective when the repair requirements are tight to fix specific failure types. In such cases, our method showed stably low rates (<2%) of regressions, which were in many cases a tenth of regressions caused by retraining.

With the prevailing of mobility as a service (MaaS), it becomes increasingly important to manage multi-traffic modes simultaneously and cooperatively. As an important component of MaaS, short-term passenger flow prediction for multi-traffic modes has thus been brought into focus. It is a challenging problem because the spatiotemporal features of multi-traffic modes are critically complex. To solve the problem, this paper proposes a multi-task learning-based model, called Res-Transformer, for short-term passenger flow prediction of multi-traffic modes (subway, taxi, and bus). Each traffic mode is treated as a single task in the model. The Res-Transformer consists of three parts: (1) several modified transformer layers comprising 2D convolutional neural networks (CNN) and multi-head attention mechanism, which helps to extract the spatial and temporal features of multi-traffic modes, (2) a residual network architecture used to extract the inner pattern of different traffic modes and enhance the passenger flow features of multi-traffic modes. The Res-Transformer model is evaluated on two large-scale real-world datasets from Beijing, China. One is the region of a traffic hub and the other is the region of a residential area. Experiments are conducted to compare the performance of the proposed model with several state-of-the-art models to prove the effectiveness and robustness of the proposed method. This paper can give critical insights into the short-tern passenger flow prediction for multi-traffic modes.

Realistic manipulation tasks require a robot to interact with an environment with a prolonged sequence of motor actions. While deep reinforcement learning methods have recently emerged as a promising paradigm for automating manipulation behaviors, they usually fall short in long-horizon tasks due to the exploration burden. This work introduces Manipulation Primitive-augmented reinforcement Learning (MAPLE), a learning framework that augments standard reinforcement learning algorithms with a pre-defined library of behavior primitives. These behavior primitives are robust functional modules specialized in achieving manipulation goals, such as grasping and pushing. To use these heterogeneous primitives, we develop a hierarchical policy that involves the primitives and instantiates their executions with input parameters. We demonstrate that MAPLE outperforms baseline approaches by a significant margin on a suite of simulated manipulation tasks. We also quantify the compositional structure of the learned behaviors and highlight our method's ability to transfer policies to new task variants and to physical hardware. Videos and code are available at https://ut-austin-rpl.github.io/maple

While deep learning through empirical risk minimization (ERM) has succeeded at achieving human-level performance at a variety of complex tasks, ERM generalizes poorly to distribution shift. This is partly explained by overfitting to spurious features such as background in images or named entities in natural language. Synthetic data augmentation followed by empirical risk minimization (DA-ERM) is a simple and widely used solution to remedy this problem. In addition, consistency regularization could be applied to further promote model performance to be consistent on the augmented sample and the original one. In this paper, we propose data augmented invariant regularization (DAIR), a simple form of consistency regularization that is applied directly on the loss function rather than intermediate features, making it widely applicable regardless of network architecture or problem setup. We apply DAIR to multiple real-world learning problems, namely robust regression, visual question answering, robust deep neural network training, and neural task-oriented dialog modeling. Our experiments show that DAIR consistently outperforms ERM and DA-ERM with little marginal cost and sets new state-of-the-art results in several benchmarks.

The workshop will focus on the application of AI to problems in cyber security. Cyber systems generate large volumes of data, utilizing this effectively is beyond human capabilities. Additionally, adversaries continue to develop new attacks. Hence, AI methods are required to understand and protect the cyber domain. These challenges are widely studied in enterprise networks, but there are many gaps in research and practice as well as novel problems in other domains. In general, AI techniques are still not widely adopted in the real world. Reasons include: (1) a lack of certification of AI for security, (2) a lack of formal study of the implications of practical constraints (e.g., power, memory, storage) for AI systems in the cyber domain, (3) known vulnerabilities such as evasion, poisoning attacks, (4) lack of meaningful explanations for security analysts, and (5) lack of analyst trust in AI solutions. There is a need for the research community to develop novel solutions for these practical issues.

Typical state of the art flow cytometry data samples consists of measures of more than 100.000 cells in 10 or more features. AI systems are able to diagnose such data with almost the same accuracy as human experts. However, there is one central challenge in such systems: their decisions have far-reaching consequences for the health and life of people, and therefore, the decisions of AI systems need to be understandable and justifiable by humans. In this work, we present a novel explainable AI method, called ALPODS, which is able to classify (diagnose) cases based on clusters, i.e., subpopulations, in the high-dimensional data. ALPODS is able to explain its decisions in a form that is understandable for human experts. For the identified subpopulations, fuzzy reasoning rules expressed in the typical language of domain experts are generated. A visualization method based on these rules allows human experts to understand the reasoning used by the AI system. A comparison to a selection of state of the art explainable AI systems shows that ALPODS operates efficiently on known benchmark data and also on everyday routine case data.

An accurate and robust large-scale localization system is an integral component for active areas of research such as autonomous vehicles and augmented reality. To this end, many learning algorithms have been proposed that predict 6DOF camera pose from RGB or RGB-D images. However, previous methods that incorporate depth typically treat the data the same way as RGB images, often adding depth maps as additional channels to RGB images and passing them through convolutional neural networks (CNNs). In this paper, we show that converting depth maps into pseudo-LiDAR signals, previously shown to be useful for 3D object detection, is a better representation for camera localization tasks by projecting point clouds that can accurately determine 6DOF camera pose. This is demonstrated by first comparing localization accuracies of a network operating exclusively on pseudo-LiDAR representations, with networks operating exclusively on depth maps. We then propose FusionLoc, a novel architecture that uses pseudo-LiDAR to regress a 6DOF camera pose. FusionLoc is a dual stream neural network, which aims to remedy common issues with typical 2D CNNs operating on RGB-D images. The results from this architecture are compared against various other state-of-the-art deep pose regression implementations using the 7 Scenes dataset. The findings are that FusionLoc performs better than a number of other camera localization methods, with a notable improvement being, on average, 0.33m and 4.35{\deg} more accurate than RGB-D PoseNet. By proving the validity of using pseudo-LiDAR signals over depth maps for localization, there are new considerations when implementing large-scale localization systems.

We propose a kernel-spectral embedding algorithm for learning low-dimensional nonlinear structures from high-dimensional and noisy observations, where the datasets are assumed to be sampled from an intrinsically low-dimensional manifold and corrupted by high-dimensional noise. The algorithm employs an adaptive bandwidth selection procedure which does not rely on prior knowledge of the underlying manifold. The obtained low-dimensional embeddings can be further utilized for downstream purposes such as data visualization, clustering and prediction. Our method is theoretically justified and practically interpretable. Specifically, we establish the convergence of the final embeddings to their noiseless counterparts when the dimension and size of the samples are comparably large, and characterize the effect of the signal-to-noise ratio on the rate of convergence and phase transition. We also prove convergence of the embeddings to the eigenfunctions of an integral operator defined by the kernel map of some reproducing kernel Hilbert space capturing the underlying nonlinear structures. Numerical simulations and analysis of three real datasets show the superior empirical performance of the proposed method, compared to many existing methods, on learning various manifolds in diverse applications.

Comparing structured objects such as graphs is a fundamental operation involved in many learning tasks. To this end, the Gromov-Wasserstein (GW) distance, based on Optimal Transport (OT), has proven to be successful in handling the specific nature of the associated objects. More specifically, through the nodes connectivity relations, GW operates on graphs, seen as probability measures over specific spaces. At the core of OT is the idea of conservation of mass, which imposes a coupling between all the nodes from the two considered graphs. We argue in this paper that this property can be detrimental for tasks such as graph dictionary or partition learning, and we relax it by proposing a new semi-relaxed Gromov-Wasserstein divergence. Aside from immediate computational benefits, we discuss its properties, and show that it can lead to an efficient graph dictionary learning algorithm. We empirically demonstrate its relevance for complex tasks on graphs such as partitioning, clustering and completion.

We propose a method for learning constraints represented as Gaussian processes (GPs) from locally-optimal demonstrations. Our approach uses the Karush-Kuhn-Tucker (KKT) optimality conditions to determine where on the demonstrations the constraint is tight, and a scaling of the constraint gradient at those states. We then train a GP representation of the constraint which is consistent with and which generalizes this information. We further show that the GP uncertainty can be used within a kinodynamic RRT to plan probabilistically-safe trajectories, and that we can exploit the GP structure within the planner to exactly achieve a specified safety probability. We demonstrate our method can learn complex, nonlinear constraints demonstrated on a 5D nonholonomic car, a 12D quadrotor, and a 3-link planar arm, all while requiring minimal prior information on the constraint. Our results suggest the learned GP constraint is accurate, outperforming previous constraint learning methods that require more a priori knowledge.

Increasing the explainability of deep neural networks (DNNs) requires evaluating whether they implement symbolic computation. One central symbolic capacity is variable binding: linking an input value to an abstract variable held in system-internal memory. Prior work on the computational abilities of DNNs has not resolved the question of whether their internal processes involve variable binding. We argue that the reason for this is fundamental, inherent in the way experiments in prior work were designed. We provide the first systematic evaluation of the variable binding capacities of the state-of-the-art Transformer networks BERT and RoBERTa. Our experiments are designed such that the model must generalize a rule across disjoint subsets of the input vocabulary, and cannot rely on associative pattern matching alone. The results show a clear discrepancy between classification and sequence-to-sequence tasks: BERT and RoBERTa can easily learn to copy or reverse strings even when trained on task-specific vocabularies that are switched in the test set; but both models completely fail to generalize across vocabularies in similar sequence classification tasks. These findings indicate that the effectiveness of Transformers in sequence modelling may lie in their extensive use of the input itself as an external "memory" rather than network-internal symbolic operations involving variable binding. Therefore, we propose a novel direction for future work: augmenting the inputs available to circumvent the lack of network-internal variable binding.

Arrhythmogenic right ventricular cardiomyopathy (ARVC) is an inherited heart muscle disease that appears between the second and forth decade of a patient's life, being responsible for 20% of sudden cardiac deaths before the age of 35. The effective and punctual diagnosis of this disease based on Electrocardiograms (ECGs) could have a vital role in reducing premature cardiovascular mortality. In our analysis, we firstly outline the digitalization process of paper-based ECG signals enhanced by a spatial filter aiming to eliminate dark regions in the dataset's images that do not correspond to ECG waveform, producing undesirable noise. Next, we propose the utilization of a low-complexity convolutional neural network for the detection of an arrhythmogenic heart disease, that has not been studied through the usage of deep learning methodology to date, achieving high classification accuracy on a disease the major identification criterion of which are infinitesimal millivolt variations in the ECG's morphology, in contrast with other arrhythmogenic abnormalities. Finally, by performing spectral analysis we investigate significant differentiations in the field of frequencies between normal ECGs and ECGs corresponding to patients suffering from ARVC. The overall research carried out in this article highlights the importance of integrating mathematical methods into the examination and effective diagnosis of various diseases, aiming to a substantial contribution to their successful treatment.

In network analysis, the betweenness centrality of a node informally captures the fraction of shortest paths visiting that node. The computation of the betweenness centrality measure is a fundamental task in the analysis of modern networks, enabling the identification of the most central nodes in such networks. Additionally to being massive, modern networks also contain information about the time at which their events occur. Such networks are often called temporal networks. The temporal information makes the study of the betweenness centrality in temporal networks (i.e., temporal betweenness centrality) much more challenging than in static networks (i.e., networks without temporal information). Moreover, the exact computation of the temporal betweenness centrality is often impractical on even moderately-sized networks, given its extremely high computational cost. A natural approach to reduce such computational cost is to obtain high-quality estimates of the exact values of the temporal betweenness centrality. In this work we present ONBRA, the first sampling-based approximation algorithm for estimating the temporal betweenness centrality values of the nodes in a temporal network, providing rigorous probabilistic guarantees on the quality of its output. ONBRA is able to compute the estimates of the temporal betweenness centrality values under two different optimality criteria for the shortest paths of the temporal network. In addition, ONBRA outputs high-quality estimates with sharp theoretical guarantees leveraging on the \emph{empirical Bernstein bound}, an advanced concentration inequality. Finally, our experimental evaluation shows that ONBRA significantly reduces the computational resources required by the exact computation of the temporal betweenness centrality on several real world networks, while reporting high-quality estimates with rigorous guarantees.

The identification of relevant features, i.e., the driving variables that determine a process or the properties of a system, is an essential part of the analysis of data sets with a large number of variables. A mathematical rigorous approach to quantifying the relevance of these features is mutual information. Mutual information determines the relevance of features in terms of their joint mutual dependence to the property of interest. However, mutual information requires as input probability distributions, which cannot be reliably estimated from continuous distributions such as physical quantities like lengths or energies. Here, we introduce total cumulative mutual information (TCMI), a measure of the relevance of mutual dependences that extends mutual information to random variables of continuous distribution based on cumulative probability distributions. TCMI is a non-parametric, robust, and deterministic measure that facilitates comparisons and rankings between feature sets with different cardinality. The ranking induced by TCMI allows for feature selection, i.e., the identification of variable sets that are nonlinear statistically related to a property of interest, taking into account the number of data samples as well as the cardinality of the set of variables. We evaluate the performance of our measure with simulated data, compare its performance with similar multivariate-dependence measures, and demonstrate the effectiveness of our feature-selection method on a set of standard data sets and a typical scenario in materials science.

As technology advances, the need for safe, efficient, and collaborative human-robot-teams has become increasingly important. One of the most fundamental collaborative tasks in any setting is the object handover. Human-to-robot handovers can take either of two approaches: (1) direct hand-to-hand or (2) indirect hand-to-placement-to-pick-up. The latter approach ensures minimal contact between the human and robot but can also result in increased idle time due to having to wait for the object to first be placed down on a surface. To minimize such idle time, the robot must preemptively predict the human intent of where the object will be placed. Furthermore, for the robot to preemptively act in any sort of productive manner, predictions and motion planning must occur in real-time. We introduce a novel prediction-planning pipeline that allows the robot to preemptively move towards the human agent's intended placement location using gaze and gestures as model inputs. In this paper, we investigate the performance and drawbacks of our early intent predictor-planner as well as the practical benefits of using such a pipeline through a human-robot case study.

A practical approach to learning robot skills, often termed sim2real, is to train control policies in simulation and then deploy them on a real robot. Popular techniques to improve the sim2real transfer build on domain randomization (DR) -- training the policy on a diverse set of randomly generated domains with the hope of better generalization to the real world. Due to the large number of hyper-parameters in both the policy learning and DR algorithms, one often ends up with a large number of trained policies, where choosing the best policy among them demands costly evaluation on the real robot. In this work we ask - can we rank the policies without running them in the real world? Our main idea is that a predefined set of real world data can be used to evaluate all policies, using out-of-distribution detection (OOD) techniques. In a sense, this approach can be seen as a `unit test' to evaluate policies before any real world execution. However, we find that by itself, the OOD score can be inaccurate and very sensitive to the particular OOD method. Our main contribution is a simple-yet-effective policy score that combines OOD with an evaluation in simulation. We show that our score - VSDR - can significantly improve the accuracy of policy ranking without requiring additional real world data. We evaluate the effectiveness of VSDR on sim2real transfer in a robotic grasping task with image inputs. We extensively evaluate different DR parameters and OOD methods, and show that VSDR improves policy selection across the board. More importantly, our method achieves significantly better ranking, and uses significantly less data compared to baselines. Project website is available at https://sites.google.com/view/vsdr/home.

Real-world recommender system needs to be regularly retrained to keep with the new data. In this work, we consider how to efficiently retrain graph convolution network (GCN) based recommender models, which are state-of-the-art techniques for collaborative recommendation. To pursue high efficiency, we set the target as using only new data for model updating, meanwhile not sacrificing the recommendation accuracy compared with full model retraining. This is non-trivial to achieve, since the interaction data participates in both the graph structure for model construction and the loss function for model learning, whereas the old graph structure is not allowed to use in model updating. Towards the goal, we propose a \textit{Causal Incremental Graph Convolution} approach, which consists of two new operators named \textit{Incremental Graph Convolution} (IGC) and \textit{Colliding Effect Distillation} (CED) to estimate the output of full graph convolution. In particular, we devise simple and effective modules for IGC to ingeniously combine the old representations and the incremental graph and effectively fuse the long-term and short-term preference signals. CED aims to avoid the out-of-date issue of inactive nodes that are not in the incremental graph, which connects the new data with inactive nodes through causal inference. In particular, CED estimates the causal effect of new data on the representation of inactive nodes through the control of their collider. Extensive experiments on three real-world datasets demonstrate both accuracy gains and significant speed-ups over the existing retraining mechanism.

Deep learning has proven effective across a range of data sets. In light of this, a natural inquiry is: "for what data generating processes can deep learning succeed?" In this work, we study the sample complexity of learning multilayer data generating processes of a sort for which deep neural networks seem to be suited. We develop general and elegant information-theoretic tools that accommodate analysis of any data generating process -- shallow or deep, parametric or nonparametric, noiseless or noisy. We then use these tools to characterize the dependence of sample complexity on the depth of multilayer processes. Our results indicate roughly linear dependence on depth. This is in contrast to previous results that suggest exponential or high-order polynomial dependence.

Motivated by recent findings from cognitive neural science, we advocate the use of a dual-level model for concept representations: the embodied level consists of concept-oriented feature representations, and the symbolic level consists of concept graphs. Embodied concept representations are modality specific and exist in the form of feature vectors in a feature space. Symbolic concept representations, on the other hand, are amodal and language specific, and exist in the form of word / knowledge-graph embeddings in a concept / knowledge space. The human conceptual system comprises both embodied representations and symbolic representations, which typically interact to drive conceptual processing. As such, we further advocate the use of dual embodied-symbolic concept representations for deep learning. To demonstrate their usage and value, we discuss two important use cases: embodied-symbolic knowledge distillation for few-shot class incremental learning, and embodied-symbolic fused representation for image-text matching. Dual embodied-symbolic concept representations are the foundation for deep learning and symbolic AI integration. We discuss two important examples of such integration: scene graph generation with knowledge graph bridging, and multimodal knowledge graphs.

Developing large-scale distributed methods that are robust to the presence of adversarial or corrupted workers is an important part of making such methods practical for real-world problems. Here, we propose an iterative approach that is adversary-tolerant for least-squares problems. The algorithm utilizes simple statistics to guarantee convergence and is capable of learning the adversarial distributions. Additionally, the efficiency of the proposed method is shown in simulations in the presence of adversaries. The results demonstrate the great capability of such methods to tolerate different levels of adversary rates and to identify the erroneous workers with high accuracy.

Due to the heterogeneity of real-world data, the widely accepted independent and identically distributed (IID) assumption has been criticized in recent studies on causality. In this paper, we argue that instead of being a questionable assumption, IID is a fundamental task-relevant property that needs to be learned. Consider $k$ independent random vectors $\mathsf{X}^{i = 1, \ldots, k}$, we elaborate on how a variety of different causal questions can be reformulated to learning a task-relevant function $\phi$ that induces IID among $\mathsf{Z}^i := \phi \circ \mathsf{X}^i$, which we term IID representation learning. For proof of concept, we examine the IID representation learning on Out-of-Distribution (OOD) generalization tasks. Concretely, by utilizing the representation obtained via the learned function that induces IID, we conduct prediction of molecular characteristics (molecular prediction) on two biomedical datasets with real-world distribution shifts introduced by a) preanalytical variation and b) sampling protocol. To enable reproducibility and for comparison to the state-of-the-art (SOTA) methods, this is done by following the OOD benchmarking guidelines recommended from WILDS. Compared to the SOTA baselines supported in WILDS, the results confirm the superior performance of IID representation learning on OOD tasks. The code is publicly accessible via https://github.com/CTPLab/IID_representation_learning.

With the success of the graph embedding model in both academic and industry areas, the robustness of graph embedding against adversarial attack inevitably becomes a crucial problem in graph learning. Existing works usually perform the attack in a white-box fashion: they need to access the predictions/labels to construct their adversarial loss. However, the inaccessibility of predictions/labels makes the white-box attack impractical to a real graph learning system. This paper promotes current frameworks in a more general and flexible sense -- we demand to attack various kinds of graph embedding models with black-box driven. We investigate the theoretical connections between graph signal processing and graph embedding models and formulate the graph embedding model as a general graph signal process with a corresponding graph filter. Therefore, we design a generalized adversarial attacker: GF-Attack. Without accessing any labels and model predictions, GF-Attack can perform the attack directly on the graph filter in a black-box fashion. We further prove that GF-Attack can perform an effective attack without knowing the number of layers of graph embedding models. To validate the generalization of GF-Attack, we construct the attacker on four popular graph embedding models. Extensive experiments validate the effectiveness of GF-Attack on several benchmark datasets.

In this paper we develop a method for mapping forest mortality in the forest-tundra ecotone using satellite data from heterogeneous sensors. We use medium resolution imagery in order to provide the complex pattern of forest mortality in this sparsely forested area, which has been induced by an outbreak of geometrid moths. Specifically, Landsat-5 Thematic Mapper images from before the event are used, with RADARSAT-2 providing the post-event images. We obtain the difference images for both multispectral optical and synthetic aperture radar (SAR) by using a recently developed deep learning method for translating between the two domains. These differences are stacked with the original pre- and post-event images in order to let our algorithm also learn how the areas appear before and after the change event. By doing this, and focusing on learning only the changes of interest with one-class classification (OCC), we obtain good results with very little training data.

Short-term future population prediction is a crucial problem in urban computing. Accurate future population prediction can provide rich insights for urban planners or developers. However, predicting the future population is a challenging task due to its complex spatiotemporal dependencies. Many existing works have attempted to capture spatial correlations by partitioning a city into grids and using Convolutional Neural Networks (CNN). However, CNN merely captures spatial correlations by using a rectangle filter; it ignores urban environmental information such as distribution of railroads and location of POI. Moreover, the importance of those kinds of information for population prediction differs in each region and is affected by contextual situations such as weather conditions and day of the week. To tackle this problem, we propose a novel deep learning model called Attention-based Contextual Multi-View Graph Convolutional Networks (ACMV-GCNs). We first construct multiple graphs based on urban environmental information, and then ACMV-GCNs captures spatial correlations from various views with graph convolutional networks. Further, we add an attention module to consider the contextual situations when leveraging urban environmental information for future population prediction. Using statistics population count data collected through mobile phones, we demonstrate that our proposed model outperforms baseline methods. In addition, by visualizing weights calculated by an attention module, we show that our model learns an efficient way to utilize urban environment information without any prior knowledge.

During the forward pass of Deep Neural Networks (DNNs), inputs gradually transformed from low-level features to high-level conceptual labels. While features at different layers could summarize the important factors of the inputs at varying levels, modern out-of-distribution (OOD) detection methods mostly focus on utilizing their ending layer features. In this paper, we proposed a novel layer-adaptive OOD detection framework (LA-OOD) for DNNs that can fully utilize the intermediate layers' outputs. Specifically, instead of training a unified OOD detector at a fixed ending layer, we train multiple One-Class SVM OOD detectors simultaneously at the intermediate layers to exploit the full spectrum characteristics encoded at varying depths of DNNs. We develop a simple yet effective layer-adaptive policy to identify the best layer for detecting each potential OOD example. LA-OOD can be applied to any existing DNNs and does not require access to OOD samples during the training. Using three DNNs of varying depth and architectures, our experiments demonstrate that LA-OOD is robust against OODs of varying complexity and can outperform state-of-the-art competitors by a large margin on some real-world datasets.

Finding general evaluation metrics for unsupervised representation learning techniques is a challenging open research question, which recently has become more and more necessary due to the increasing interest in unsupervised methods. Even though these methods promise beneficial representation characteristics, most approaches currently suffer from the objective function mismatch. This mismatch states that the performance on a desired target task can decrease when the unsupervised pretext task is learned too long - especially when both tasks are ill-posed. In this work, we build upon the widely used linear evaluation protocol and define new general evaluation metrics to quantitatively capture the objective function mismatch and the more generic metrics mismatch. We discuss the usability and stability of our protocols on a variety of pretext and target tasks and study mismatches in a wide range of experiments. Thereby we disclose dependencies of the objective function mismatch across several pretext and target tasks with respect to the pretext model's representation size, target model complexity, pretext and target augmentations as well as pretext and target task types. In our experiments, we find that the objective function mismatch reduces performance by ~0.1-5.0% for Cifar10, Cifar100 and PCam in many setups, and up to ~25-59% in extreme cases for the 3dshapes dataset.

Spatiotemporal graph represents a crucial data structure where the nodes and edges are embedded in a geometric space and can evolve dynamically over time. Nowadays, spatiotemporal graph data is becoming increasingly popular and important, ranging from microscale (e.g. protein folding), to middle-scale (e.g. dynamic functional connectivity), to macro-scale (e.g. human mobility network). Although disentangling and understanding the correlations among spatial, temporal, and graph aspects have been a long-standing key topic in network science, they typically rely on network processing hypothesized by human knowledge. This usually fit well towards the graph properties which can be predefined, but cannot do well for the most cases, especially for many key domains where the human has yet very limited knowledge such as protein folding and biological neuronal networks. In this paper, we aim at pushing forward the modeling and understanding of spatiotemporal graphs via new disentangled deep generative models. Specifically, a new Bayesian model is proposed that factorizes spatiotemporal graphs into spatial, temporal, and graph factors as well as the factors that explain the interplay among them. A variational objective function and new mutual information thresholding algorithms driven by information bottleneck theory have been proposed to maximize the disentanglement among the factors with theoretical guarantees. Qualitative and quantitative experiments on both synthetic and real-world datasets demonstrate the superiority of the proposed model over the state-of-the-arts by up to 69.2% for graph generation and 41.5% for interpretability.

Non-affine parametric dependencies, nonlinearities and advection-dominated regimes of the model of interest can result in a slow Kolmogorov n-width decay, which precludes the realization of efficient reduced-order models based on linear subspace approximations. Among the possible solutions, there are purely data-driven methods that leverage autoencoders and their variants to learn a latent representation of the dynamical system, and then evolve it in time with another architecture. Despite their success in many applications where standard linear techniques fail, more has to be done to increase the interpretability of the results, especially outside the training range and not in regimes characterized by an abundance of data. Not to mention that none of the knowledge on the physics of the model is exploited during the predictive phase. In order to overcome these weaknesses, we implement the non-linear manifold method introduced by Carlberg et al [37] with hyper-reduction achieved through reduced over-collocation and teacher-student training of a reduced decoder. We test the methodology on a 2d non-linear conservation law and a 2d shallow water models, and compare the results obtained with a purely data-driven method for which the dynamics is evolved in time with a long-short term memory network.

In reinforcement learning, state representations are used to tractably deal with large problem spaces. State representations serve both to approximate the value function with few parameters, but also to generalize to newly encountered states. Their features may be learned implicitly (as part of a neural network) or explicitly (for example, the successor representation of \citet{dayan1993improving}). While the approximation properties of representations are reasonably well-understood, a precise characterization of how and when these representations generalize is lacking. In this work, we address this gap and provide an informative bound on the generalization error arising from a specific state representation. This bound is based on the notion of effective dimension which measures the degree to which knowing the value at one state informs the value at other states. Our bound applies to any state representation and quantifies the natural tension between representations that generalize well and those that approximate well. We complement our theoretical results with an empirical survey of classic representation learning methods from the literature and results on the Arcade Learning Environment, and find that the generalization behaviour of learned representations is well-explained by their effective dimension.

This paper explores the advantages of optimizing quantum circuits on $N$ wires as operators in the unitary group $U(2^N)$. We run gradient-based optimization in the Lie algebra $\mathfrak u(2^N)$ and use the exponential map to parametrize unitary matrices. We argue that $U(2^N)$ is not only more general than the search space induced by an ansatz, but in ways easier to work with on classical computers. The resulting approach is quick, ansatz-free and provides an upper bound on performance over all ans\"atze on $N$ wires.

Similarity learning is a general problem to elicit useful representations by predicting the relationship between a pair of patterns. This problem is related to various important preprocessing tasks such as metric learning, kernel learning, and contrastive learning. A classifier built upon the representations is expected to perform well in downstream classification; however, little theory has been given in literature so far and thereby the relationship between similarity and classification has remained elusive. Therefore, we tackle a fundamental question: can similarity information provably leads a model to perform well in downstream classification? In this paper, we reveal that a product-type formulation of similarity learning is strongly related to an objective of binary classification. We further show that these two different problems are explicitly connected by an excess risk bound. Consequently, our results elucidate that similarity learning is capable of solving binary classification by directly eliciting a decision boundary.

Tensegrity robots, composed of rigid rods and flexible cables, are difficult to accurately model and control given the presence of complex dynamics and high number of DoFs. Differentiable physics engines have been recently proposed as a data-driven approach for model identification of such complex robotic systems. These engines are often executed at a high-frequency to achieve accurate simulation. Ground truth trajectories for training differentiable engines, however, are not typically available at such high frequencies due to limitations of real-world sensors. The present work focuses on this frequency mismatch, which impacts the modeling accuracy. We proposed a recurrent structure for a differentiable physics engine of tensegrity robots, which can be trained effectively even with low-frequency trajectories. To train this new recurrent engine in a robust way, this work introduces relative to prior work: (i) a new implicit integration scheme, (ii) a progressive training pipeline, and (iii) a differentiable collision checker. A model of NASA's icosahedron SUPERballBot on MuJoCo is used as the ground truth system to collect training data. Simulated experiments show that once the recurrent differentiable engine has been trained given the low-frequency trajectories from MuJoCo, it is able to match the behavior of MuJoCo's system. The criterion for success is whether a locomotion strategy learned using the differentiable engine can be transferred back to the ground-truth system and result in a similar motion. Notably, the amount of ground truth data needed to train the differentiable engine, such that the policy is transferable to the ground truth system, is 1% of the data needed to train the policy directly on the ground-truth system.

In the absence of randomized controlled and natural experiments, it is necessary to balance the distributions of (observable) covariates of the treated and control groups in order to obtain an unbiased estimate of a causal effect of interest; otherwise, a different effect size may be estimated, and incorrect recommendations may be given. To achieve this balance, there exist a wide variety of methods. In particular, several methods based on optimization models have been recently proposed in the causal inference literature. While these optimization-based methods empirically showed an improvement over a limited number of other causal inference methods in their relative ability to balance the distributions of covariates and to estimate causal effects, they have not been thoroughly compared to each other and to other noteworthy causal inference methods. In addition, we believe that there exist several unaddressed opportunities that operational researchers could contribute with their advanced knowledge of optimization, for the benefits of the applied researchers that use causal inference tools. In this review paper, we present an overview of the causal inference literature and describe in more detail the optimization-based causal inference methods, provide a comparative analysis of the prevailing optimization-based methods, and discuss opportunities for new methods.

The impact of the environment on graphene's properties such as strain, charge density, and dielectric environment can be evaluated by Raman spectroscopy. These environmental interactions are not trivial to determine, since they affect the spectra in overlapping ways. Data preprocessing such as background subtraction and peak fitting is typically used. Moreover, collected spectroscopic data vary due to different experimental setups and environments. Such variations, artifacts, and environmental differences pose a challenge in accurate spectral analysis. In this work, we developed a deep learning model to overcome the effects of such variations and classify graphene Raman spectra according to different charge densities and dielectric environments. We consider two approaches: deep learning models and machine learning algorithms to classify spectra with slightly different charge density or dielectric environment. These two approaches show similar success rates for high Signal-to-Noise data. However, deep learning models are less sensitive to noise. To improve the accuracy and generalization of all models, we use data augmentation through additive noise and peak shifting. We demonstrated the spectra classification with 99% accuracy using a convolutional neural net (CNN) model. The CNN model is able to classify Raman spectra of graphene with different charge doping levels and even subtle variation in the spectra between graphene on SiO$_2$ and graphene on silanized SiO$_2$. Our approach has the potential for fast and reliable estimation of graphene doping levels and dielectric environments. The proposed model paves the way for achieving efficient analytical tools to evaluate the properties of graphene.

The present paper proposes a novel reinforcement learning method with world models, DreamingV2, a collaborative extension of DreamerV2 and Dreaming. DreamerV2 is a cutting-edge model-based reinforcement learning from pixels that uses discrete world models to represent latent states with categorical variables. Dreaming is also a form of reinforcement learning from pixels that attempts to avoid the autoencoding process in general world model training by involving a reconstruction-free contrastive learning objective. The proposed DreamingV2 is a novel approach of adopting both the discrete representation of DreamingV2 and the reconstruction-free objective of Dreaming. Compared to DreamerV2 and other recent model-based methods without reconstruction, DreamingV2 achieves the best scores on five simulated challenging 3D robot arm tasks. We believe that DreamingV2 will be a reliable solution for robot learning since its discrete representation is suitable to describe discontinuous environments, and the reconstruction-free fashion well manages complex vision observations.

Unitary transformations formulate the time evolution of quantum states. How to learn a unitary transformation efficiently is a fundamental problem in quantum machine learning. The most natural and leading strategy is to train a quantum machine learning model based on a quantum dataset. Although presence of more training data results in better models, using too much data reduces the efficiency of training. In this work, we solve the problem on the minimum size of sufficient quantum datasets for learning a unitary transformation exactly, which reveals the power and limitation of quantum data. First, we prove that the minimum size of dataset with pure states is $2^n$ for learning an $n$-qubit unitary transformation. To fully explore the capability of quantum data, we introduce a quantum dataset consisting of $n+1$ mixed states that are sufficient for exact training. The main idea is to simplify the structure utilizing decoupling, which leads to an exponential improvement on the size over the datasets with pure states. Furthermore, we show that the size of quantum dataset with mixed states can be reduced to a constant, which yields an optimal quantum dataset for learning a unitary. We showcase the applications of our results in oracle compiling and Hamiltonian simulation. Notably, to accurately simulate a 3-qubit one-dimensional nearest-neighbor Heisenberg model, our circuit only uses $48$ elementary quantum gates, which is significantly less than $4320$ gates in the circuit constructed by the Trotter-Suzuki product formula.

We propose an adaptive optimisation approach for tuning stochastic model predictive control (MPC) hyper-parameters while jointly estimating probability distributions of the transition model parameters based on performance rewards. In particular, we develop a Bayesian optimisation (BO) algorithm with a heteroscedastic noise model to deal with varying noise across the MPC hyper-parameter and dynamics model parameter spaces. Typical homoscedastic noise models are unrealistic for tuning MPC since stochastic controllers are inherently noisy, and the level of noise is affected by their hyper-parameter settings. We evaluate the proposed optimisation algorithm in simulated control and robotics tasks where we jointly infer control and dynamics parameters. Experimental results demonstrate that our approach leads to higher cumulative rewards and more stable controllers.

Variational autoencdoers (VAE) are a popular approach to generative modelling. However, exploiting the capabilities of VAEs in practice can be difficult. Recent work on regularised and entropic autoencoders have begun to explore the potential, for generative modelling, of removing the variational approach and returning to the classic deterministic autoencoder (DAE) with additional novel regularisation methods. In this paper we empirically explore the capability of DAEs for image generation without additional novel methods and the effect of the implicit regularisation and smoothness of large networks. We find that DAEs can be used successfully for image generation without additional loss terms, and that many of the useful properties of VAEs can arise implicitly from sufficiently large convolutional encoders and decoders when trained on CIFAR-10 and CelebA.

In lifelong learning, tasks (or classes) to be learned arrive sequentially over time in arbitrary order. During training, knowledge from previous tasks can be captured and transferred to subsequent ones to improve sample efficiency. We consider the setting where all target tasks can be represented in the span of a small number of unknown linear or nonlinear features of the input data. We propose a lifelong learning algorithm that maintains and refines the internal feature representation. We prove that for any desired accuracy on all tasks, the dimension of the representation remains close to that of the underlying representation. The resulting sample complexity improves significantly on existing bounds. In the setting of linear features, our algorithm is provably efficient and the sample complexity for input dimension $d$, $m$ tasks with $k$ features up to error $\epsilon$ is $\tilde{O}(dk^{1.5}/\epsilon+km/\epsilon)$. We also prove a matching lower bound for any lifelong learning algorithm that uses a single task learner as a black box. We complement our analysis with an empirical study, including a heuristic lifelong learning algorithm for deep neural networks. Our method performs favorably on challenging realistic image datasets compared to state-of-the-art continual learning methods.

Navigation through uncontrolled intersections is one of the key challenges for autonomous vehicles. Identifying the subtle differences in hidden traits of other drivers can bring significant benefits when navigating in such environments. We propose an unsupervised method for inferring driver traits such as driving styles from observed vehicle trajectories. We use a variational autoencoder with recurrent neural networks to learn a latent representation of traits without any ground truth trait labels. Then, we use this trait representation to learn a policy for an autonomous vehicle to navigate through a T-intersection with deep reinforcement learning. Our pipeline enables the autonomous vehicle to adjust its actions when dealing with drivers of different traits to ensure safety and efficiency. Our method demonstrates promising performance and outperforms state-of-the-art baselines in the T-intersection scenario.

Depression is one of the most prevalent mental disorders, which seriously affects one's life. Traditional depression diagnostics commonly depends on rating with scales, which can be labor-intensive and subjective. In this context, Automatic Depression Detection (ADD) has been attracting more attention for its low cost and objectivity. ADD systems are able to detect depression automatically from some medical records, like video sequences. However, it remains challenging to effectively extract depression-specific information from long sequences, thereby hindering a satisfying accuracy. In this paper, we propose a novel ADD method via learning and fusing features from visual cues. Specifically, we firstly construct Temporal Dilated Convolutional Network (TDCN), in which multiple Dilated Convolution Blocks (DCB) are designed and stacked, to learn the long-range temporal information from sequences. Then, the Feature-Wise Attention (FWA) module is adopted to fuse different features extracted from TDCNs. The module learns to assign weights for the feature channels, aiming to better incorporate different kinds of visual features and further enhance the detection accuracy. Our method achieves the state-of-the-art performance on the DAIC_WOZ dataset compared to other visual-feature-based methods, showing its effectiveness.

Molecular design based on generative models, such as variational autoencoders (VAEs), has become increasingly popular in recent years due to its efficiency for exploring high-dimensional molecular space to identify molecules with desired properties. While the efficacy of the initial model strongly depends on the training data, the sampling efficiency of the model for suggesting novel molecules with enhanced properties can be further enhanced via latent space optimization. In this paper, we propose a multi-objective latent space optimization (LSO) method that can significantly enhance the performance of generative molecular design (GMD). The proposed method adopts an iterative weighted retraining approach, where the respective weights of the molecules in the training data are determined by their Pareto efficiency. We demonstrate that our multi-objective GMD LSO method can significantly improve the performance of GMD for jointly optimizing multiple molecular properties.

Dimensionality reduction (DR) is an important technique for data exploration and knowledge discovery. However, most of the main DR methods are either linear (e.g., PCA), do not provide an explicit mapping between the original data and its lower-dimensional representation (e.g., MDS, t-SNE, isomap), or produce mappings that cannot be easily interpreted (e.g., kernel PCA, neural-based autoencoder). Recently, genetic programming (GP) has been used to evolve interpretable DR mappings in the form of symbolic expressions. There exists a number of ways in which GP can be used to this end and no study exists that performs a comparison. In this paper, we fill this gap by comparing existing GP methods as well as devising new ones. We evaluate our methods on several benchmark datasets based on predictive accuracy and on how well the original features can be reconstructed using the lower-dimensional representation only. Finally, we qualitatively assess the resulting expressions and their complexity. We find that various GP methods can be competitive with state-of-the-art DR algorithms and that they have the potential to produce interpretable DR mappings.

With the development of deep learning-based methods, automated classification of electrocardiograms (ECGs) has recently gained much attention. Although the effectiveness of deep neural networks has been encouraging, the lack of information given by the outputs restricts clinicians' reexamination. If the uncertainty estimation comes along with the classification results, cardiologists can pay more attention to "uncertain" cases. Our study aims to classify ECGs with rejection based on data uncertainty and model uncertainty. We perform experiments on a real-world 12-lead ECG dataset. First, we estimate uncertainties using the Monte Carlo dropout for each classification prediction, based on our Bayesian neural network. Then, we accept predictions with uncertainty under a given threshold and provide "uncertain" cases for clinicians. Furthermore, we perform a simulation experiment using varying thresholds. Finally, with the help of a clinician, we conduct case studies to explain the results of large uncertainties and incorrect predictions with small uncertainties. The results show that correct predictions are more likely to have smaller uncertainties, and the performance on accepted predictions improves as the accepting ratio decreases (i.e. more rejections). Case studies also help explain why rejection can improve the performance. Our study helps neural networks produce more accurate results and provide information on uncertainties to better assist clinicians in the diagnosis process. It can also enable deep-learning-based ECG interpretation in clinical implementation.

Eigenvalue problems are critical to several fields of science and engineering. We expand on the method of using unsupervised neural networks for discovering eigenfunctions and eigenvalues for differential eigenvalue problems. The obtained solutions are given in an analytical and differentiable form that identically satisfies the desired boundary conditions. The network optimization is data-free and depends solely on the predictions of the neural network. We introduce two physics-informed loss functions. The first, called ortho-loss, motivates the network to discover pair-wise orthogonal eigenfunctions. The second loss term, called norm-loss, requests the discovery of normalized eigenfunctions and is used to avoid trivial solutions. We find that embedding even or odd symmetries to the neural network architecture further improves the convergence for relevant problems. Lastly, a patience condition can be used to automatically recognize eigenfunction solutions. This proposed unsupervised learning method is used to solve the finite well, multiple finite wells, and hydrogen atom eigenvalue quantum problems.

Differential privacy (DP) is a widely-accepted and widely-applied notion of privacy based on worst-case analysis. Often, DP classifies most mechanisms without external noise as non-private [Dwork et al., 2014], and external noises, such as Gaussian noise or Laplacian noise [Dwork et al., 2006], are introduced to improve privacy. In many real-world applications, however, adding external noise is undesirable and sometimes prohibited. For example, presidential elections often require a deterministic rule to be used [Liu et al., 2020], and small noises can lead to dramatic decreases in the prediction accuracy of deep neural networks, especially the underrepresented classes [Bagdasaryan et al., 2019]. In this paper, we propose a natural extension and relaxation of DP following the worst average-case idea behind the celebrated smoothed analysis [Spielman and Teng, 2004]. Our notion, the smoothed DP, can effectively measure the privacy leakage of mechanisms without external noises under realistic settings. We prove several strong properties of the smoothed DP, including composability, robustness to post-processing and etc. We proved that any discrete mechanism with sampling procedures is more private than what DP predicts. In comparison, many continuous mechanisms with sampling procedures are still non-private under smoothed DP. Experimentally, we first verified that the discrete sampling mechanisms are private in real-world elections. Then, we apply the smoothed DP notion on quantized gradient descent, which indicates some neural networks can be private without adding any extra noises. We believe that these results contribute to the theoretical foundation of realistic privacy measures beyond worst-case analysis.

Kernel Density Estimation (KDE) is a nonparametric method for estimating the shape of a density function, given a set of samples from the distribution. Recently, locality-sensitive hashing, originally proposed as a tool for nearest neighbor search, has been shown to enable fast KDE data structures. However, these approaches do not take advantage of the many other advances that have been made in algorithms for nearest neighbor algorithms. We present an algorithm called Density Estimation from Approximate Nearest Neighbors (DEANN) where we apply Approximate Nearest Neighbor (ANN) algorithms as a black box subroutine to compute an unbiased KDE. The idea is to find points that have a large contribution to the KDE using ANN, compute their contribution exactly, and approximate the remainder with Random Sampling (RS). We present a theoretical argument that supports the idea that an ANN subroutine can speed up the evaluation. Furthermore, we provide a C++ implementation with a Python interface that can make use of an arbitrary ANN implementation as a subroutine for kernel density estimation. We show empirically that our implementation outperforms state of the art implementations in all high dimensional datasets we considered, and matches the performance of RS in cases where the ANN yield no gains in performance.

We present \spear, an open-source python library for data programming with semi supervision. The package implements several recent data programming approaches including facility to programmatically label and build training data. SPEAR facilitates \textit{weak supervision} in the form of heuristics (or rules) and association of \textit{noisy} labels to the training dataset. These \textit{noisy} labels are aggregated to assign labels to the unlabeled data for downstream tasks. We have implemented several label aggregation approaches that aggregate the \textit{noisy} labels and then train using the \textit{noisily} labeled set in a cascaded manner. Our implementation also includes other approaches that \textit{jointly} aggregate and train the model for text classification tasks. Thus, in our python package, we integrate several cascade and joint data-programming approaches while also providing the facility of data programming by letting the user define labeling functions or rules. The code and tutorial notebooks are available at \url{https://github.com/decile-team/spear}. Further, extensive documentation can be found at \url{https://spear-decile.readthedocs.io/}. Video tutorials demonstrating the usage of our package are available at https://youtu.be/SN9YYK4FlU0, https://www.youtube.com/watch?v=qdukvO3B8YU, and https://drive.google.com/uc?export=download&confirm=KY-u&id=1P0iOGHrIR1Te0sSeCB3hwdPpjzB44K33. We also present some real-world use cases of \spear.

We consider the problem of characterizing directed acyclic graph (DAG) models up to unconditional equivalence, i.e., when two DAGs have the same set of unconditional d-separation statements. Each unconditional equivalence class (UEC) can be uniquely represented with an undirected graph whose clique structure encodes the members of the class. Via this structure, we provide a transformational characterization of unconditional equivalence. Combining these results, we introduce a hybrid algorithm for learning DAG models from observational data, called Greedy Unconditional Equivalence Search (GUES), which first estimates the UEC of the data using independence tests and then greedily searches the UEC for the optimal DAG. Applying GUES on synthetic data, we show that it achieves comparable accuracy to existing methods. However, in contrast to existing methods, since the average UEC is observed to contain few DAGs, the search space for GUES is drastically reduced.

We provide details on the implementation of a machine-learning based particle flow algorithm for CMS. The standard particle flow algorithm reconstructs stable particles based on calorimeter clusters and tracks to provide a global event reconstruction that exploits the combined information of multiple detector subsystems, leading to strong improvements for quantities such as jets and missing transverse energy. We have studied a possible evolution of particle flow towards heterogeneous computing platforms such as GPUs using a graph neural network. The machine-learned PF model reconstructs particle candidates based on the full list of tracks and calorimeter clusters in the event. For validation, we determine the physics performance directly in the CMS software framework when the proposed algorithm is interfaced with the offline reconstruction of jets and missing transverse energy. We also report the computational performance of the algorithm, which scales approximately linearly in runtime and memory usage with the input size.

We study how to use Deep Variational Autoencoders for a fast simulation of jets of particles at the LHC. We represent jets as a list of constituents, characterized by their momenta. Starting from a simulation of the jet before detector effects, we train a Deep Variational Autoencoder to return the corresponding list of constituents after detection. Doing so, we bypass both the time-consuming detector simulation and the collision reconstruction steps of a traditional processing chain, speeding up significantly the events generation workflow. Through model optimization and hyperparameter tuning, we achieve state-of-the-art precision on the jet four-momentum, while providing an accurate description of the constituents momenta, and an inference time comparable to that of a rule-based fast simulation.

Recent innovations in self-supervised representation learning have led to remarkable advances in natural language processing. That said, in the speech processing domain, self-supervised representation learning-based systems are not yet considered state-of-the-art. We propose leveraging recent advances in self-supervised-based speech processing to create a common speech analysis engine. Such an engine should be able to handle multiple speech processing tasks, using a single architecture, to obtain state-of-the-art accuracy. The engine must also enable support for new tasks with small training datasets. Beyond that, a common engine should be capable of supporting distributed training with client in-house private data. We present the architecture for a common speech analysis engine based on the HuBERT self-supervised speech representation. Based on experiments, we report our results for language identification and emotion recognition on the standard evaluations NIST-LRE 07 and IEMOCAP. Our results surpass the state-of-the-art performance reported so far on these tasks. We also analyzed our engine on the emotion recognition task using reduced amounts of training data and show how to achieve improved results.

Generative Adversarial Networks (GANs) are very popular frameworks for generating high-quality data, and are immensely used in both the academia and industry in many domains. Arguably, their most substantial impact has been in the area of computer vision, where they achieve state-of-the-art image generation. This chapter gives an introduction to GANs, by discussing their principle mechanism and presenting some of their inherent problems during training and evaluation. We focus on these three issues: (1) mode collapse, (2) vanishing gradients, and (3) generation of low-quality images. We then list some architecture-variant and loss-variant GANs that remedy the above challenges. Lastly, we present two utilization examples of GANs for real-world applications: Data augmentation and face images generation.

Having a measure of uncertainty in the output of a deep learning method is useful in several ways, such as in assisting with interpretation of the outputs, helping build confidence with end users, and for improving the training and performance of the networks. Therefore, several different methods have been proposed to capture various types of uncertainty, including epistemic (relating to the model used) and aleatoric (relating to the data) sources, with the most commonly used methods for estimating these being test-time dropout for epistemic uncertainty and test-time augmentation for aleatoric uncertainty. However, these methods are parameterised (e.g. amount of dropout or type and level of augmentation) and so there is a whole range of possible uncertainties that could be calculated, even with a fixed network and dataset. This work investigates the stability of these uncertainty measurements, in terms of both magnitude and spatial pattern. In experiments using the well characterised BraTS challenge, we demonstrate substantial variability in the magnitude and spatial pattern of these uncertainties, and discuss the implications for interpretability, repeatability and confidence in results.

This paper presents an exhaustive study about the robustness of several parameterizations, in speaker verification and identification tasks. We have studied several mismatch conditions: different recording sessions, microphones, and different languages (it has been obtained from a bilingual set of speakers). This study reveals that the combination of several parameterizations can improve the robustness in all the scenarios for both tasks, identification and verification. In addition, two different methods have been evaluated: vector quantization, and covariance matrices with an arithmetic-harmonic sphericity measure.

Learning policies that effectually utilize language instructions in complex, multi-task environments is an important problem in imitation learning. While it is possible to condition on the entire language instruction directly, such an approach could suffer from generalization issues. To encode complex instructions into skills that can generalize to unseen instructions, we propose Learning Interpretable Skill Abstractions (LISA), a hierarchical imitation learning framework that can learn diverse, interpretable skills from language-conditioned demonstrations. LISA uses vector quantization to learn discrete skill codes that are highly correlated with language instructions and the behavior of the learned policy. In navigation and robotic manipulation environments, LISA is able to outperform a strong non-hierarchical baseline in the low data regime and compose learned skills to solve tasks containing unseen long-range instructions. Our method demonstrates a more natural way to condition on language in sequential decision-making problems and achieve interpretable and controllable behavior with the learned skills.

Physical simulations based on partial differential equations typically generate spatial fields results, which are utilized to calculate specific properties of a system for engineering design and optimization. Due to the intensive computational burden of the simulations, a surrogate model mapping the low-dimensional inputs to the spatial fields are commonly built based on a relatively small dataset. To resolve the challenge of predicting the whole spatial field, the popular linear model of coregionalization (LMC) can disentangle complicated correlations within the high-dimensional spatial field outputs and deliver accurate predictions. However, LMC fails if the spatial field cannot be well approximated by a linear combination of base functions with latent processes. In this paper, we extend LMC by introducing an invertible neural network to linearize the highly complex and nonlinear spatial fields such that the LMC can easily generalize to nonlinear problems while preserving the traceability and scalability. Several real-world applications demonstrate that E-LMC can exploit spatial correlations effectively, showing a maximum improvement of about 40% over the original LMC and outperforming the other state-of-the-art spatial field models.

We consider the problem of extracting features from passive, multi-channel electroencephalogram (EEG) devices for downstream inference tasks related to high-level mental states such as stress and cognitive load. Our proposed method leverages recently developed multi-graph tools and applies them to the time series of graphs implied by the statistical dependence structure (e.g., correlation) amongst the multiple sensors. We compare the effectiveness of the proposed features to traditional band power-based features in the context of three classification experiments and find that the two feature sets offer complementary predictive information. We conclude by showing that the importance of particular channels and pairs of channels for classification when using the proposed features is neuroscientifically valid.

Feature representation is an important aspect of remote-sensing based image classification. While deep convolutional neural networks are able to effectively amalgamate information, large numbers of parameters often make learned features inscrutable and difficult to transfer to alternative models. In order to better represent statistical texture information for remote-sensing image classification, in this paper, we investigate performing joint dimensionality reduction and classification using a novel histogram neural network. Motivated by a popular dimensionality reduction approach, t-Distributed Stochastic Neighbor Embedding (t-SNE), our proposed method incorporates a classification loss computed on samples in a low-dimensional embedding space. We compare the learned sample embeddings against coordinates found by t-SNE in terms of classification accuracy and qualitative assessment. We also explore use of various divergence measures in the t-SNE objective. The proposed method has several advantages such as readily embedding out-of-sample points and reducing feature dimensionality while retaining class discriminability. Our results show that the proposed approach maintains and/or improves classification performance and reveals characteristics of features produced by neural networks that may be helpful for other applications.

ZX-calculus has proved to be a useful tool for quantum technology with a wide range of successful applications. Most of these applications are of an algebraic nature. However, other tasks that involve differentiation and integration remain unreachable with current ZX techniques. Here we elevate ZX to an analytical perspective by realising differentiation and integration entirely within the framework of ZX-calculus. We explicitly illustrate the new analytic framework of ZX-calculus by applying it in context of quantum machine learning.

The negative impact of stroke in society has led to concerted efforts to improve the management and diagnosis of stroke. With an increased synergy between technology and medical diagnosis, caregivers create opportunities for better patient management by systematically mining and archiving the patients' medical records. Therefore, it is vital to study the interdependency of these risk factors in patients' health records and understand their relative contribution to stroke prediction. This paper systematically analyzes the various factors in electronic health records for effective stroke prediction. Using various statistical techniques and principal component analysis, we identify the most important factors for stroke prediction. We conclude that age, heart disease, average glucose level, and hypertension are the most important factors for detecting stroke in patients. Furthermore, a perceptron neural network using these four attributes provides the highest accuracy rate and lowest miss rate compared to using all available input features and other benchmarking algorithms. As the dataset is highly imbalanced concerning the occurrence of stroke, we report our results on a balanced dataset created via sub-sampling techniques.

Machine learning techniques including neural networks are popular tools for materials and chemical scientists with applications that may provide viable alternative methods in the analysis of structure and energetics of systems ranging from crystals to biomolecules. However, efforts are less abundant for prediction of dynamics. Here we explore the ability of three well established recurrent neural network architectures for forecasting the energetics of a macromolecular polymer-lipid aggregate solvated in ethyl acetate at ambient conditions. Data models generated from recurrent neural networks are trained and tested on nanoseconds-long time series of the intra-macromolecules potential energy and their interaction energy with the solvent generated from Molecular Dynamics and containing half million points. Our exhaustive analyses convey that the three recurrent neural network investigated generate data models with limited capability of reproducing the energetic fluctuations and yielding short or long term energetics forecasts with underlying distribution of points inconsistent with the input series distributions. We propose an in silico experimental protocol consisting on forming an ensemble of artificial network models trained on an ensemble of series with additional features from time series containing pre-clustered time patterns of the original series. The forecast process improves by predicting a band of forecasted time series with a spread of values consistent with the molecular dynamics energy fluctuations span. However, the distribution of points from the band of forecasts is not optimal. Although the three inspected recurrent neural networks were unable of generating single models that reproduce the actual fluctuations of the inspected molecular system energies in thermal equilibrium at the nanosecond scale, the proposed protocol provides useful estimates of the molecular fate

The front-door criterion can be used to identify and compute causal effects despite the existence of unmeasured confounders between a treatment and outcome. However, the key assumptions -- (i) the existence of a variable (or set of variables) that fully mediates the effect of the treatment on the outcome, and (ii) which simultaneously does not suffer from similar issues of confounding as the treatment-outcome pair -- are often deemed implausible. This paper explores the testability of these assumptions. We show that under mild conditions involving an auxiliary variable, the assumptions encoded in the front-door model (and simple extensions of it) may be tested via generalized equality constraints a.k.a Verma constraints. We propose two goodness-of-fit tests based on this observation, and evaluate the efficacy of our proposal on real and synthetic data. We also provide theoretical and empirical comparisons to instrumental variable approaches to handling unmeasured confounding.

As Smart Meters are collecting and transmitting household energy consumption data to Retail Energy Providers (REP), the main challenge is to ensure the effective use of fine-grained consumer data while ensuring data privacy. In this manuscript, we tackle this challenge for energy load consumption forecasting in regards to REPs which is essential to energy demand management, load switching and infrastructure development. Specifically, we note that existing energy load forecasting is centralized, which are not scalable and most importantly, vulnerable to data privacy threats. Besides, REPs are individual market participants and liable to ensure the privacy of their own customers. To address this issue, we propose a novel horizontal privacy-preserving federated learning framework for REPs energy load forecasting, namely FedREP. We consider a federated learning system consisting of a control centre and multiple retailers by enabling multiple REPs to build a common, robust machine learning model without sharing data, thus addressing critical issues such as data privacy, data security and scalability. For forecasting, we use a state-of-the-art Long Short-Term Memory (LSTM) neural network due to its ability to learn long term sequences of observations and promises of higher accuracy with time-series data while solving the vanishing gradient problem. Finally, we conduct extensive data-driven experiments using a real energy consumption dataset. Experimental results demonstrate that our proposed federated learning framework can achieve sufficient performance in terms of MSE ranging between 0.3 to 0.4 and is relatively similar to that of a centralized approach while preserving privacy and improving scalability.

Sports officials around the world are facing incredible challenges due to the unfair means of practices performed by the athletes to improve their performance in the game. It includes the intake of hormonal based drugs or transfusion of blood to increase their strength and the result of their training. However, the current direct test of detection of these cases includes the laboratory-based method, which is limited because of the cost factors, availability of medical experts, etc. This leads us to seek for indirect tests. With the growing interest of Artificial Intelligence in healthcare, it is important to propose an algorithm based on blood parameters to improve decision making. In this paper, we proposed a statistical and machine learning-based approach to identify the presence of doping substance rhEPO in blood samples.

The increasing market penetration of electric vehicles (EVs) may change the travel behavior of drivers and pose a significant electricity demand on the power system. Since the electricity demand depends on the travel behavior of EVs, which are inherently uncertain, the forecasting of daily charging demand (CD) will be a challenging task. In this paper, we use the recorded GPS data of EVs and conventional gasoline-powered vehicles from the same city to investigate the potential shift in the travel behavior of drivers from conventional vehicles to EVs and forecast the spatiotemporal patterns of daily CD. Our analysis reveals that the travel behavior of EVs and conventional vehicles are similar. Also, the forecasting results indicate that the developed models can generate accurate spatiotemporal patterns of the daily CD.

Grasping made impressive progress during the last few years thanks to deep learning. However, there are many objects for which it is not possible to choose a grasp by only looking at an RGB-D image, might it be for physical reasons (e.g., a hammer with uneven mass distribution) or task constraints (e.g., food that should not be spoiled). In such situations, the preferences of experts need to be taken into account. In this paper, we introduce a data-efficient grasping pipeline (Latent Space GP Selector -- LGPS) that learns grasp preferences with only a few labels per object (typically 1 to 4) and generalizes to new views of this object. Our pipeline is based on learning a latent space of grasps with a dataset generated with any state-of-the-art grasp generator (e.g., Dex-Net). This latent space is then used as a low-dimensional input for a Gaussian process classifier that selects the preferred grasp among those proposed by the generator. The results show that our method outperforms both GR-ConvNet and GG-CNN (two state-of-the-art methods that are also based on labeled grasps) on the Cornell dataset, especially when only a few labels are used: only 80 labels are enough to correctly choose 80% of the grasps (885 scenes, 244 objects). Results are similar on our dataset (91 scenes, 28 objects).

Biophysical modelling of the diffusion MRI signal provides estimates of specific microstructural tissue properties.Although nonlinear optimization such as non-linear least squares (NLLS) is the most widespread method for model estimation, it suffers from local minima and high computational cost. Deep Learning approaches are steadily replacing NL fitting, but come with the limitation that the model needs to be retrained for each acquisition protocol and noise level. The White Matter Tract Integrity (WMTI)-Watson model was proposed as an implementation of the Standard Model of diffusion in white matter that estimates model parameters from the diffusion and kurtosis tensors (DKI). Here we proposed a deep learning approach based on the encoder-decoder recurrent neural network (RNN) to increase the robustness and accelerate the parameter estimation of WMTI-Watson. We use an embedding approach to render the model insensitive to potential differences in distributions between training data and experimental data. This RNN-based solver thus has the advantage of being highly efficient in computation and more readily translatable to other datasets, irrespective of acquisition protocol and underlying parameter distributions as long as DKI was pre-computed from the data. In this study, we evaluated the performance of NLLS, the RNN-based method and a multilayer perceptron (MLP) on synthetic and in vivo datasets of rat and human brain. We showed that the proposed RNN-based fitting approach had the advantage of highly reduced computation time over NLLS (from hours to seconds), with similar accuracy and precision but improved robustness, and superior translatability to new datasets over MLP.

We consider a multi-agent multi-armed bandit setting in which $n$ honest agents collaborate over a network to minimize regret but $m$ malicious agents can disrupt learning arbitrarily. Assuming the network is the complete graph, existing algorithms incur $O( (m + K/n) \log (T) / \Delta )$ regret in this setting, where $K$ is the number of arms and $\Delta$ is the arm gap. For $m \ll K$, this improves over the single-agent baseline regret of $O(K\log(T)/\Delta)$. In this work, we show the situation is murkier beyond the case of a complete graph. In particular, we prove that if the state-of-the-art algorithm is used on the undirected line graph, honest agents can suffer (nearly) linear regret until time is doubly exponential in $K$ and $n$. In light of this negative result, we propose a new algorithm for which the $i$-th agent has regret $O( ( d_{\text{mal}}(i) + K/n) \log(T)/\Delta)$ on any connected and undirected graph, where $d_{\text{mal}}(i)$ is the number of $i$'s neighbors who are malicious. Thus, we generalize existing regret bounds beyond the complete graph (where $d_{\text{mal}}(i) = m$), and show the effect of malicious agents is entirely local (in the sense that only the $d_{\text{mal}}(i)$ malicious agents directly connected to $i$ affect its long-term regret).

Traditional methods for matching in causal inference are impractical for high-dimensional datasets. They suffer from the curse of dimensionality: exact matching and coarsened exact matching find exponentially fewer matches as the input dimension grows, and propensity score matching may match highly unrelated units together. To overcome this problem, we develop theoretical results which motivate the use of neural networks to obtain non-trivial, multivariate balancing scores of a chosen level of coarseness, in contrast to the classical, scalar propensity score. We leverage these balancing scores to perform matching for high-dimensional causal inference and call this procedure neural score matching. We show that our method is competitive against other matching approaches on semi-synthetic high-dimensional datasets, both in terms of treatment effect estimation and reducing imbalance.

In this paper, we address the task of semantic-guided image generation. One challenge common to most existing image-level generation methods is the difficulty in generating small objects and detailed local textures. To address this, in this work we consider generating images using local context. As such, we design a local class-specific generative network using semantic maps as guidance, which separately constructs and learns subgenerators for different classes, enabling it to capture finer details. To learn more discriminative class-specific feature representations for the local generation, we also propose a novel classification module. To combine the advantages of both global image-level and local class-specific generation, a joint generation network is designed with an attention fusion module and a dual-discriminator structure embedded. Lastly, we propose a novel semantic-aware upsampling method, which has a larger receptive field and can take far-away pixels that are semantically related for feature upsampling, enabling it to better preserve semantic consistency for instances with the same semantic labels. Extensive experiments on two image generation tasks show the superior performance of the proposed method. State-of-the-art results are established by large margins on both tasks and on nine challenging public benchmarks. The source code and trained models are available at https://github.com/Ha0Tang/LGGAN.

The Concordance Index (C-index) is a commonly used metric in Survival Analysis to evaluate how good a prediction model is. This paper proposes a decomposition of the C-Index into a weighted harmonic mean of two quantities: one for ranking observed events versus other observed events, and the other for ranking observed events versus censored cases. This decomposition allows a more fine-grained analysis of the pros and cons of survival prediction methods. The utility of the decomposition is demonstrated using three benchmark survival analysis models (Cox Proportional Hazard, Random Survival Forest, and Deep Adversarial Time-to-Event Network) together with a new variational generative neural-network-based method (SurVED), which is also proposed in this paper. The demonstration is done on four publicly available datasets with varying censoring levels. The analysis with the C-index decomposition shows that all methods essentially perform equally well when the censoring level is high because of the dominance of the term measuring the ranking of events versus censored cases. In contrast, some methods deteriorate when the censoring level decreases because they do not rank the events versus other events well.

Deep Neural Networks for classification behave unpredictably when confronted with inputs not stemming from the training distribution. This motivates out-of-distribution detection (OOD) mechanisms. The usual lack of prior information on out-of-distribution data renders the performance estimation of detection approaches on unseen data difficult. Several contemporary evaluation protocols are based on open set simulations, which average the performance over up to five synthetic random splits of a dataset into in- and out-of-distribution samples. However, the number of possible splits may be much larger, and the performance of Deep Neural Networks is known to fluctuate significantly depending on different sources of random variation. We empirically demonstrate that current protocols may fail to provide reliable estimates of the expected performance of OOD methods. By casting this evaluation as a random process, we generalize the concept of open set simulations and propose to estimate the performance of OOD methods using a Monte Carlo approach that addresses the randomness.

The sensor to shooter timeline is affected by two main variables: satellite positioning and asset positioning. Speeding up satellite positioning by adding more sensors or by decreasing processing time is important only if there is a prepared shooter, otherwise the main source of time is getting the shooter into position. However, the intelligence community should work towards the exploitation of sensors to the highest speed and effectiveness possible. Achieving a high effectiveness while keeping speed high is a tradeoff that must be considered in the sensor to shooter timeline. In this paper we investigate two main ideas, increasing the effectiveness of satellite imagery through image manipulation and how on-board image manipulation would affect the sensor to shooter timeline. We cover these ideas in four scenarios: Discrete Event Simulation of onboard processing versus ground station processing, quality of information with cloud cover removal, information improvement with super resolution, and data reduction with image to caption. This paper will show how image manipulation techniques such as Super Resolution, Cloud Removal, and Image to Caption will improve the quality of delivered information in addition to showing how those processes effect the sensor to shooter timeline.

Graph convolutional neural networks (GCNs) have emerged as a key technology in various application domains where the input data is relational. A unique property of GCNs is that its two primary execution stages, aggregation and combination, exhibit drastically different dataflows. Consequently, prior GCN accelerators tackle this research space by casting the aggregation and combination stages as a series of sparse-dense matrix multiplication. However, prior work frequently suffers from inefficient data movements, leaving significant performance left on the table. We present GROW, a GCN accelerator based on Gustavson's algorithm to architect a row-wise product based sparse-dense GEMM accelerator. GROW co-designs the software/hardware that strikes a balance in locality and parallelism for GCNs, achieving significant energy-efficiency improvements vs. state-of-the-art GCN accelerators.

Learning controllers from data for stabilizing dynamical systems typically follows a two step process of first identifying a model and then constructing a controller based on the identified model. However, learning models means identifying generic descriptions of the dynamics of systems, which can require large amounts of data and extracting information that are unnecessary for the specific task of stabilization. The contribution of this work is to show that if a linear dynamical system has dimension (McMillan degree) $n$, then there always exist $n$ states from which a stabilizing feedback controller can be constructed, independent of the dimension of the representation of the observed states and the number of inputs. By building on previous work, this finding implies that any linear dynamical system can be stabilized from fewer observed states than the minimal number of states required for learning a model of the dynamics. The theoretical findings are demonstrated with numerical experiments that show the stabilization of the flow behind a cylinder from less data than necessary for learning a model.

Graph neural networks (GNN) have shown great advantages in many graph-based learning tasks but often fail to predict accurately for a task-based on sets of nodes such as link/motif prediction and so on. Many works have recently proposed to address this problem by using random node features or node distance features. However, they suffer from either slow convergence, inaccurate prediction, or high complexity. In this work, we revisit GNNs that allow using positional features of nodes given by positional encoding (PE) techniques such as Laplacian Eigenmap, Deepwalk, etc. GNNs with PE often get criticized because they are not generalizable to unseen graphs (inductive) or stable. Here, we study these issues in a principled way and propose a provable solution, a class of GNN layers termed PEG with rigorous mathematical analysis. PEG uses separate channels to update the original node features and positional features. PEG imposes permutation equivariance w.r.t. the original node features and rotation equivariance w.r.t. the positional features simultaneously. Extensive link prediction experiments over 8 real-world networks demonstrate the advantages of PEG in generalization and scalability.

Question answering over temporal knowledge graphs (KGs) efficiently uses facts contained in a temporal KG, which records entity relations and when they occur in time, to answer natural language questions (e.g., "Who was the president of the US before Obama?"). These questions often involve three time-related challenges that previous work fail to adequately address: 1) questions often do not specify exact timestamps of interest (e.g., "Obama" instead of 2000); 2) subtle lexical differences in time relations (e.g., "before" vs "after"); 3) off-the-shelf temporal KG embeddings that previous work builds on ignore the temporal order of timestamps, which is crucial for answering temporal-order related questions. In this paper, we propose a time-sensitive question answering (TSQA) framework to tackle these problems. TSQA features a timestamp estimation module to infer the unwritten timestamp from the question. We also employ a time-sensitive KG encoder to inject ordering information into the temporal KG embeddings that TSQA is based on. With the help of techniques to reduce the search space for potential answers, TSQA significantly outperforms the previous state of the art on a new benchmark for question answering over temporal KGs, especially achieving a 32% (absolute) error reduction on complex questions that require multiple steps of reasoning over facts in the temporal KG.

The MultiCoNER shared task aims at detecting semantically ambiguous and complex named entities in short and low-context settings for multiple languages. The lack of contexts makes the recognition of ambiguous named entities challenging. To alleviate this issue, our team DAMO-NLP proposes a knowledge-based system, where we build a multilingual knowledge base based on Wikipedia to provide related context information to the named entity recognition (NER) model. Given an input sentence, our system effectively retrieves related contexts from the knowledge base. The original input sentences are then augmented with such context information, allowing significantly better contextualized token representations to be captured. Our system wins 10 out of 13 tracks in the MultiCoNER shared task.

A modular design encourages neural models to disentangle and recombine different facets of knowledge to generalise more systematically to new tasks. In this work, we assume that each task is associated with a subset of latent discrete skills from a (potentially small) inventory. In turn, skills correspond to parameter-efficient (sparse / low-rank) model parameterisations. By jointly learning these and a task-skill allocation matrix, the network for each task is instantiated as the average of the parameters of active skills. To favour non-trivial soft partitions of skills across tasks, we experiment with a series of inductive biases, such as an Indian Buffet Process prior and a two-speed learning rate. We evaluate our latent-skill model on two main settings: 1) multitask reinforcement learning for grounded instruction following on 8 levels of the BabyAI platform; and 2) few-shot adaptation of pre-trained text-to-text generative models on CrossFit, a benchmark comprising 160 NLP tasks. We find that the modular design of a network significantly increases sample efficiency in reinforcement learning and few-shot generalisation in supervised learning, compared to baselines with fully shared, task-specific, or conditionally generated parameters where knowledge is entangled across tasks. In addition, we show how discrete skills help interpretability, as they yield an explicit hierarchy of tasks.

Metasurfaces have received a lot of attentions recently due to their versatile capability in manipulating electromagnetic wave. Advanced designs to satisfy multiple objectives with non-linear constraints have motivated researchers in using machine learning (ML) techniques like deep learning (DL) for accelerated design of metasurfaces. For metasurfaces, it is difficult to make quantitative comparisons between different ML models without having a common and yet complex dataset used in many disciplines like image classification. Many studies were directed to a relatively constrained datasets that are limited to specified patterns or shapes in metasurfaces. In this paper, we present our SUTD polarized reflection of complex metasurfaces (SUTD-PRCM) dataset, which contains approximately 260,000 samples of complex metasurfaces created from electromagnetic simulation, and it has been used to benchmark our DL models. The metasurface patterns are divided into different classes to facilitate different degree of complexity, which involves identifying and exploiting the relationship between the patterns and the electromagnetic responses that can be compared in using different DL models. With the release of this SUTD-PRCM dataset, we hope that it will be useful for benchmarking existing or future DL models developed in the ML community. We also propose a classification problem that is less encountered and apply neural architecture search to have a preliminary understanding of potential modification to the neural architecture that will improve the prediction by DL models. Our finding shows that convolution stacking is not the dominant element of the neural architecture anymore, which implies that low-level features are preferred over the traditional deep hierarchical high-level features thus explains why deep convolutional neural network based models are not performing well in our dataset.

GNNs are a paradigm-shifting neural architecture to facilitate the learning of complex multi-agent behaviors. Recent work has demonstrated remarkable performance in tasks such as flocking, multi-agent path planning and cooperative coverage. However, the policies derived through GNN-based learning schemes have not yet been deployed to the real-world on physical multi-robot systems. In this work, we present the design of a system that allows for fully decentralized execution of GNN-based policies. We create a framework based on ROS2 and elaborate its details in this paper. We demonstrate our framework on a case-study that requires tight coordination between robots, and present first-of-a-kind results that show successful real-world deployment of GNN-based policies on a decentralized multi-robot system relying on Adhoc communication. A video demonstration of this case-study, as well as the accompanying source code repository, can be found online. https://www.youtube.com/watch?v=COh-WLn4iO4 https://github.com/proroklab/ros2_multi_agent_passage https://github.com/proroklab/rl_multi_agent_passage

If a prediction model identifies vulnerable individuals or groups, the use of that model may become an ethical issue. But can we know that this is what a model does? Machine learning fairness as a field is focused on the just treatment of individuals and groups under information processing with machine learning methods. While considerable attention has been given to mitigating discrimination of protected groups, vulnerable groups have not received the same attention. Unlike protected groups, which can be regarded as always vulnerable, a vulnerable group may be vulnerable in one context but not in another. This raises new challenges on how and when to protect vulnerable individuals and groups under machine learning. Methods from explainable artificial intelligence (XAI), in contrast, do consider more contextual issues and are concerned with answering the question "why was this decision made?". Neither existing fairness nor existing explainability methods allow us to ascertain if a prediction model identifies vulnerability. We discuss this problem and propose approaches for analysing prediction models in this respect.

Despite superior performance in many situations, deep neural networks are often vulnerable to adversarial examples and distribution shifts, limiting model generalization ability in real-world applications. To alleviate these problems, recent approaches leverage distributional robustness optimization (DRO) to find the most challenging distribution, and then minimize loss function over this most challenging distribution. Regardless of achieving some improvements, these DRO approaches have some obvious limitations. First, they purely focus on local regularization to strengthen model robustness, missing a global regularization effect which is useful in many real-world applications (e.g., domain adaptation, domain generalization, and adversarial machine learning). Second, the loss functions in the existing DRO approaches operate in only the most challenging distribution, hence decouple with the original distribution, leading to a restrictive modeling capability. In this paper, we propose a novel regularization technique, following the veins of Wasserstein-based DRO framework. Specifically, we define a particular joint distribution and Wasserstein-based uncertainty, allowing us to couple the original and most challenging distributions for enhancing modeling capability and applying both local and global regularizations. Empirical studies on different learning problems demonstrate that our proposed approach significantly outperforms the existing regularization approaches in various domains: semi-supervised learning, domain adaptation, domain generalization, and adversarial machine learning.

Significant progress has been made in developing identification and estimation techniques for missing data problems where modeling assumptions can be described via a directed acyclic graph. The validity of results using such techniques rely on the assumptions encoded by the graph holding true; however, verification of these assumptions has not received sufficient attention in prior work. In this paper, we provide new insights on the testable implications of three broad classes of missing data graphical models, and design goodness-of-fit tests around them. The classes of models explored are: sequential missing-at-random and missing-not-at-random models which can be used for modeling longitudinal studies with dropout/censoring, and a kind of no self-censoring model which can be applied to cross-sectional studies and surveys.

We investigate the optimal choice of replacement layer for Batch Normalisation (BN) in residual networks (ResNets) for training with Differentially Private Stochastic Gradient Descent (DP-SGD) and study the phenomenon of scale mixing in residual blocks, whereby the activations on the two branches are scaled differently. Our experimental evaluation indicates that a hyperparameter search over 1-64 Group Normalisation (GN) groups improves the accuracy of ResNet-9 and ResNet-50 considerably in both benchmark (CIFAR-10) and large-image (ImageNette) tasks. Moreover, Scale Normalisation, a simple modification to the model architecture by which an additional normalisation layer is introduced after the residual block's addition operation further improves the utility of ResNets allowing us to achieve state-of-the-art results on CIFAR-10.

Mean-Field Control (MFC) is a powerful tool to solve Multi-Agent Reinforcement Learning (MARL) problems. Recent studies have shown that MFC can well-approximate MARL when the population size is large and the agents are exchangeable. Unfortunately, the presumption of exchangeability implies that all agents uniformly interact with one another which is not true in many practical scenarios. In this article, we relax the assumption of exchangeability and model the interaction between agents via an arbitrary doubly stochastic matrix. As a result, in our framework, the mean-field `seen' by different agents are different. We prove that, if the reward of each agent is an affine function of the mean-field seen by that agent, then one can approximate such a non-uniform MARL problem via its associated MFC problem within an error of $e=\mathcal{O}(\frac{1}{\sqrt{N}}[\sqrt{|\mathcal{X}|} + \sqrt{|\mathcal{U}|}])$ where $N$ is the population size and $|\mathcal{X}|$, $|\mathcal{U}|$ are the sizes of state and action spaces respectively. Finally, we develop a Natural Policy Gradient (NPG) algorithm that can provide a solution to the non-uniform MARL with an error $\mathcal{O}(\max\{e,\epsilon\})$ and a sample complexity of $\mathcal{O}(\epsilon^{-3})$ for any $\epsilon >0$.

This paper provides a technological evaluation of two Automatic Fingerprint Identification Systems (AFIS) used in forensic applications. Both of them are installed and working in Spanish police premises. The first one is a Printrak AFIS 2000 system with a database of more than 450,000 fingerprints, while the second one is a NEC AFIS 21 SAID NT-LEXS Release 2.4.4 with a database of more than 15 million fingerprints. Our experiments reveal that although both systems can manage inkless fingerprints, the latest one offers better experimental results

With the growth of the academic engines, the mining and analysis acquisition of massive researcher data, such as collaborator recommendation and researcher retrieval, has become indispensable. It can improve the quality of services and intelligence of academic engines. Most of the existing studies for researcher data mining focus on a single task for a particular application scenario and learning a task-specific model, which is usually unable to transfer to out-of-scope tasks. The pre-training technology provides a generalized and sharing model to capture valuable information from enormous unlabeled data. The model can accomplish multiple downstream tasks via a few fine-tuning steps. In this paper, we propose a multi-task self-supervised learning-based researcher data pre-training model named RPT. Specifically, we divide the researchers' data into semantic document sets and community graph. We design the hierarchical Transformer and the local community encoder to capture information from the two categories of data, respectively. Then, we propose three self-supervised learning objectives to train the whole model. Finally, we also propose two transfer modes of RPT for fine-tuning in different scenarios. We conduct extensive experiments to evaluate RPT, results on three downstream tasks verify the effectiveness of pre-training for researcher data mining.

Reinforcement Learning (RL) has recently received significant attention from the process systems engineering and control communities. Recent works have investigated the application of RL to identify optimal scheduling decision in the presence of uncertainty. In this work, we present a RL methodology to address precedence and disjunctive constraints as commonly imposed on production scheduling problems. This work naturally enables the optimization of risk-sensitive formulations such as the conditional value-at-risk (CVaR), which are essential in realistic scheduling processes. The proposed strategy is investigated thoroughly in a single-stage, parallel batch production environment, and benchmarked against mixed integer linear programming (MILP) strategies. We show that the policy identified by our approach is able to account for plant uncertainties in online decision-making, with expected performance comparable to existing MILP methods. Additionally, the framework gains the benefits of optimizing for risk-sensitive measures, and identifies decisions orders of magnitude faster than the most efficient optimization approaches. This promises to mitigate practical issues and ease in handling realizations of process uncertainty in the paradigm of online production scheduling.

Designing molecules with specific properties is a long-lasting research problem and is central to advancing crucial domains such as drug discovery and material science. Recent advances in deep graph generative models treat molecule design as graph generation problems which provide new opportunities toward the breakthrough of this long-lasting problem. Existing models, however, have many shortcomings, including poor interpretability and controllability toward desired molecular properties. This paper focuses on new methodologies for molecule generation with interpretable and controllable deep generative models, by proposing new monotonically-regularized graph variational autoencoders. The proposed models learn to represent the molecules with latent variables and then learn the correspondence between them and molecule properties parameterized by polynomial functions. To further improve the intepretability and controllability of molecule generation towards desired properties, we derive new objectives which further enforce monotonicity of the relation between some latent variables and target molecule properties such as toxicity and clogP. Extensive experimental evaluation demonstrates the superiority of the proposed framework on accuracy, novelty, disentanglement, and control towards desired molecular properties. The code is open-source at https://anonymous.4open.science/r/MDVAE-FD2C.

Recurrent neural networks have seen widespread use in modeling dynamical systems in varied domains such as weather prediction, text prediction and several others. Often one wishes to supplement the experimentally observed dynamics with prior knowledge or intuition about the system. While the recurrent nature of these networks allows them to model arbitrarily long memories in the time series used in training, it makes it harder to impose prior knowledge or intuition through generic constraints. In this work, we present a path sampling approach based on principle of Maximum Caliber that allows us to include generic thermodynamic or kinetic constraints into recurrent neural networks. We show the method here for a widely used type of recurrent neural network known as long short-term memory network in the context of supplementing time series collecting from all-atom molecular dynamics. We demonstrate the power of the formalism for different applications. Our method can be easily generalized to other generative artificial intelligence models and to generic time series in different areas of physical and social sciences, where one wishes to supplement limited data with intuition or theory based corrections.  ( 2 min )

In this work, we propose a new algorithm ProjectiveGeometryResponse (PGR) for locally differentially private (LDP) frequency estimation. For a universe size of $k$ and with $n$ users, our $\varepsilon$-LDP algorithm has communication cost $\lceil\log_2k\rceil$ bits in the private coin setting and $\varepsilon\log_2 e + O(1)$ in the public coin setting, and has computation cost $O(n + k\exp(\varepsilon) \log k)$ for the server to approximately reconstruct the frequency histogram, while achieving the state-of-the-art privacy-utility tradeoff. In many parameter settings used in practice this is a significant improvement over the $ O(n+k^2)$ computation cost that is achieved by the recent PI-RAPPOR algorithm (Feldman and Talwar; 2021). Our empirical evaluation shows a speedup of over 50x over PI-RAPPOR while using approximately 75x less memory for practically relevant parameter settings. In addition, the running time of our algorithm is within an order of magnitude of HadamardResponse (Acharya, Sun, and Zhang; 2019) and RecursiveHadamardResponse (Chen, Kairouz, and Ozgur; 2020) which have significantly worse reconstruction error. The error of our algorithm essentially matches that of the communication- and time-inefficient but utility-optimal SubsetSelection (SS) algorithm (Ye and Barg; 2017). Our new algorithm is based on using Projective Planes over a finite field to define a small collection of sets that are close to being pairwise independent and a dynamic programming algorithm for approximate histogram reconstruction on the server side. We also give an extension of PGR, which we call HybridProjectiveGeometryResponse, that allows trading off computation time with utility smoothly.

Recent studies have shown that deep neural networks are vulnerable to adversarial attacks, including evasion and backdoor (poisoning) attacks. On the defense side, there have been intensive efforts on improving both empirical and provable robustness against evasion attacks; however, provable robustness against backdoor attacks still remains largely unexplored. In this paper, we focus on certifying the machine learning model robustness against general threat models, especially backdoor attacks. We first provide a unified framework via randomized smoothing techniques and show how it can be instantiated to certify the robustness against both evasion and backdoor attacks. We then propose the first robust training process, RAB, to smooth the trained model and certify its robustness against backdoor attacks. We theoretically prove the robustness bound for machine learning models trained with RAB, and prove that our robustness bound is tight. We derive the robustness conditions for different smoothing distributions including Gaussian and uniform distributions. In addition, we theoretically show that it is possible to train the robust smoothed models efficiently for simple models such as K-nearest neighbor classifiers, and we propose an exact smooth-training algorithm which eliminates the need to sample from a noise distribution for such models. Empirically, we conduct comprehensive experiments for different machine learning models such as DNNs and K-NN models on MNIST, CIFAR-10, and ImageNette datasets and provide the first benchmark for certified robustness against backdoor attacks. In addition, we evaluate K-NN models on a spambase tabular dataset to demonstrate the advantages of the proposed exact algorithm. Both the theoretic analysis and the comprehensive evaluation on diverse ML models and datasets shed lights on further robust learning strategies against general training time attacks.  ( 3 min )

Existing deep-learning based tomographic image reconstruction methods do not provide accurate estimates of reconstruction uncertainty, hindering their real-world deployment. To address this limitation, we construct a Bayesian prior for tomographic reconstruction, which combines the classical total variation (TV) regulariser with the modern deep image prior (DIP). Specifically, we use a change of variables to connect our prior beliefs on the image TV semi-norm with the hyper-parameters of the DIP network. For the inference, we develop an approach based on the linearised Laplace method, which is scalable to high-dimensional settings. The resulting framework provides pixel-wise uncertainty estimates and a marginal likelihood objective for hyperparameter optimisation. We demonstrate the method on synthetic and real-measured high-resolution $\mu$CT data, and show that it provides superior calibration of uncertainty estimates relative to previous probabilistic formulations of the DIP.  ( 2 min )

In this work, we consider classification of agents who can both game and improve. For example, people wishing to get a loan may be able to take some actions that increase their perceived credit-worthiness and others that also increase their true credit-worthiness. A decision-maker would like to define a classification rule with few false-positives (does not give out many bad loans) while yielding many true positives (giving out many good loans), which includes encouraging agents to improve to become true positives if possible. We consider two models for this problem, a general discrete model and a linear model, and prove algorithmic, learning, and hardness results for each. For the general discrete model, we give an efficient algorithm for the problem of maximizing the number of true positives subject to no false positives, and show how to extend this to a partial-information learning setting. We also show hardness for the problem of maximizing the number of true positives subject to a nonzero bound on the number of false positives, and that this hardness holds even for a finite-point version of our linear model. We also show that maximizing the number of true positives subject to no false positive is NP-hard in our full linear model. We additionally provide an algorithm that determines whether there exists a linear classifier that classifies all agents accurately and causes all improvable agents to become qualified, and give additional results for low-dimensional data.  ( 2 min )

The short-term passenger flow prediction of the urban rail transit system is of great significance for traffic operation and management. The emerging deep learning-based models provide effective methods to improve prediction accuracy. However, most of the existing models mainly predict the passenger flow on general weekdays, while few studies focus on predicting the holiday passenger flow, which can provide more significant information for operators because congestions or accidents generally occur on holidays. To this end, we propose a deep learning-based model named GCN-Transformer comprising graph conventional neural network (GCN) and Transformer for short-term passenger flow prediction on holidays. The GCN is applied to extract the spatial features of passenger flows and the Transformer is applied to extract the temporal features of passenger flows. Moreover, in addition to the historical passenger flow data, social media data are also incorporated into the prediction model, which has been proven to have a potential correlation with the fluctuation of passenger flow. The GCN-Transformer is tested on two large-scale real-world datasets from Nanning, China during the New Year holiday and is compared with several conventional prediction models. Results demonstrate its better robustness and advantages among baseline methods, which provides overwhelming support for practical applications of short-term passenger flow prediction on holidays

The past few years have witnessed an increased interest in learning Hamiltonian dynamics in deep learning frameworks. As an inductive bias based on physical laws, Hamiltonian dynamics endow neural networks with accurate long-term prediction, interpretability, and data-efficient learning. However, Hamiltonian dynamics also bring energy conservation or dissipation assumptions on the input data and additional computational overhead. In this paper, we systematically survey recently proposed Hamiltonian neural network models, with a special emphasis on methodologies. In general, we discuss the major contributions of these models, and compare them in four overlapping directions: 1) generalized Hamiltonian system; 2) symplectic integration, 3) generalized input form, and 4) extended problem settings. We also provide an outlook of the fundamental challenges and emerging opportunities in this area.

"Human-centered machine learning" (HCML) is a term that describes machine learning that applies to human-focused problems. Although this idea is noteworthy and generates scholarly excitement, scholars and practitioners have struggled to clearly define and implement HCML in computer science. This article proposes practices for human-centered machine learning, an area where studying and designing for social, cultural, and ethical implications are just as important as technical advances in ML. These practices bridge between interdisciplinary perspectives of HCI, AI, and sociotechnical fields, as well as ongoing discourse on this new area. The five practices include ensuring HCML is the appropriate solution space for a problem; conceptualizing problem statements as position statements; moving beyond interaction models to define the human; legitimizing domain contributions; and anticipating sociotechnical failure. I conclude by suggesting how these practices might be implemented in research and practice.

Understanding how feature learning affects generalization is among the foremost goals of modern deep learning theory. Here, we study how the ability to learn representations affects the generalization performance of a simple class of models: deep Bayesian linear neural networks trained on unstructured Gaussian data. By comparing deep random feature models to deep networks in which all layers are trained, we provide a detailed characterization of the interplay between width, depth, data density, and prior mismatch. We show that both models display sample-wise double-descent behavior in the presence of label noise. Random feature models can also display model-wise double-descent if there are narrow bottleneck layers, while deep networks do not show these divergences. Random feature models can have particular widths that are optimal for generalization at a given data density, while making neural networks as wide or as narrow as possible is always optimal. Moreover, we show that the leading-order correction to the kernel-limit learning curve cannot distinguish between random feature models and deep networks in which all layers are trained. Taken together, our findings begin to elucidate how architectural details affect generalization performance in this simple class of deep regression models.

The Laplace approximation has been one of the workhorses of Bayesian inference. It often delivers good approximations in practice despite the fact that it does not strictly take into account where the volume of posterior density lies. Variational approaches avoid this issue by explicitly minimising the Kullback-Leibler divergence DKL between a postulated posterior and the true (unnormalised) logarithmic posterior. However, they rely on a closed form DKL in order to update the variational parameters. To address this, stochastic versions of variational inference have been devised that approximate the intractable DKL with a Monte Carlo average. This approximation allows calculating gradients with respect to the variational parameters. However, variational methods often postulate a factorised Gaussian approximating posterior. In doing so, they sacrifice a-posteriori correlations. In this work, we propose a method that combines the Laplace approximation with the variational approach. The advantages are that we maintain: applicability on non-conjugate models, posterior correlations and a reduced number of free variational parameters. Numerical experiments demonstrate improvement over the Laplace approximation and variational inference with factorised Gaussian posteriors.  ( 2 min )

Deep reinforcement learning has led to numerous notable results in robotics. However, deep neural networks (DNNs) are unintuitive, which makes it difficult to understand their predictions and strongly limits their potential for real-world applications due to economic, safety, and assurance reasons. To remedy this problem, a number of explainable AI methods have been presented, such as SHAP and LIME, but these can be either be too costly to be used in real-time robotic applications or provide only local explanations. In this paper, the main contribution is the use of a linear model tree (LMT) to approximate a DNN policy, originally trained via proximal policy optimization(PPO), for an autonomous surface vehicle with five control inputs performing a docking operation. The two main benefits of the proposed approach are: a) LMTs are transparent which makes it possible to associate directly the outputs (control actions, in our case) with specific values of the input features, b) LMTs are computationally efficient and can provide information in real-time. In our simulations, the opaque DNN policy controls the vehicle and the LMT runs in parallel to provide explanations in the form of feature attributions. Our results indicate that LMTs can be a useful component within digital assurance frameworks for autonomous ships.  ( 2 min )

Despite advances in the field of Graph Neural Networks (GNNs), only a small number (~5) of datasets are currently used to evaluate new models. This continued reliance on a handful of datasets provides minimal insight into the performance differences between models, and is especially challenging for industrial practitioners who are likely to have datasets which look very different from those used as academic benchmarks. In the course of our work on GNN infrastructure and open-source software at Google, we have sought to develop improved benchmarks that are robust, tunable, scalable,and generalizable. In this work we introduce GraphWorld, a novel methodology and system for benchmarking GNN models on an arbitrarily-large population of synthetic graphs for any conceivable GNN task. GraphWorld allows a user to efficiently generate a world with millions of statistically diverse datasets. It is accessible, scalable, and easy to use. GraphWorld can be run on a single machine without specialized hardware, or it can be easily scaled up to run on arbitrary clusters or cloud frameworks. Using GraphWorld, a user has fine-grained control over graph generator parameters, and can benchmark arbitrary GNN models with built-in hyperparameter tuning. We present insights from GraphWorld experiments regarding the performance characteristics of tens of thousands of GNN models over millions of benchmark datasets. We further show that GraphWorld efficiently explores regions of benchmark dataset space uncovered by standard benchmarks, revealing comparisons between models that have not been historically obtainable. Using GraphWorld, we also are able to study in-detail the relationship between graph properties and task performance metrics, which is nearly impossible with the classic collection of real-world benchmarks.  ( 2 min )

Future communication networks must address the scarce spectrum to accommodate extensive growth of heterogeneous wireless devices. Wireless signal recognition is becoming increasingly more significant for spectrum monitoring, spectrum management, secure communications, among others. Consequently, comprehensive spectrum awareness on the edge has the potential to serve as a key enabler for the emerging beyond 5G networks. State-of-the-art studies in this domain have (i) only focused on a single task - modulation or signal (protocol) classification - which in many cases is insufficient information for a system to act on, (ii) consider either radar or communication waveforms (homogeneous waveform category), and (iii) does not address edge deployment during neural network design phase. In this work, for the first time in the wireless communication domain, we exploit the potential of deep neural networks based multi-task learning (MTL) framework to simultaneously learn modulation and signal classification tasks while considering heterogeneous wireless signals such as radar and communication waveforms in the electromagnetic spectrum. The proposed MTL architecture benefits from the mutual relation between the two tasks in improving the classification accuracy as well as the learning efficiency with a lightweight neural network model. We additionally include experimental evaluations of the model with over-the-air collected samples and demonstrate first-hand insight on model compression along with deep learning pipeline for deployment on resource-constrained edge devices. We demonstrate significant computational, memory, and accuracy improvement of the proposed model over two reference architectures. In addition to modeling a lightweight MTL model suitable for resource-constrained embedded radio platforms, we provide a comprehensive heterogeneous wireless signals dataset for public use.

Though recent works have developed methods that can generate estimates (or imputations) of the missing entries in a dataset to facilitate downstream analysis, most depend on assumptions that may not align with real-world applications and could suffer from poor performance in subsequent tasks such as classification. This is particularly true if the data have large missingness rates or a small sample size. More importantly, the imputation error could be propagated into the prediction step that follows, which may constrain the capabilities of the prediction model. In this work, we introduce the gradient importance learning (GIL) method to train multilayer perceptrons (MLPs) and long short-term memories (LSTMs) to directly perform inference from inputs containing missing values without imputation. Specifically, we employ reinforcement learning (RL) to adjust the gradients used to train these models via back-propagation. This allows the model to exploit the underlying information behind missingness patterns. We test the approach on real-world time-series (i.e., MIMIC-III), tabular data obtained from an eye clinic, and a standard dataset (i.e., MNIST), where our imputation-free predictions outperform the traditional two-step imputation-based predictions using state-of-the-art imputation methods.

Even after decades of quantum computing development, examples of generally useful quantum algorithms with exponential speedups over classical counterparts are scarce. Recent progress in quantum algorithms for linear-algebra positioned quantum machine learning (QML) as a potential source of such useful exponential improvements. Yet, in an unexpected development, a recent series of "dequantization" results has equally rapidly removed the promise of exponential speedups for several QML algorithms. This raises the critical question whether exponential speedups of other linear-algebraic QML algorithms persist. In this paper, we study the quantum-algorithmic methods behind the algorithm for topological data analysis of Lloyd, Garnerone and Zanardi through this lens. We provide evidence that the problem solved by this algorithm is classically intractable by showing that its natural generalization is as hard as simulating the one clean qubit model -- which is widely believed to require superpolynomial time on a classical computer -- and is thus very likely immune to dequantizations. Based on this result, we provide a number of new quantum algorithms for problems such as rank estimation and complex network analysis, along with complexity-theoretic evidence for their classical intractability. Furthermore, we analyze the suitability of the proposed quantum algorithms for near-term implementations. Our results provide a number of useful applications for full-blown, and restricted quantum computers with a guaranteed exponential speedup over classical methods, recovering some of the potential for linear-algebraic QML to become one of quantum computing's killer applications.

Recent advances in self-supervision have dramatically improved the quality of speech representations. However, deployment of state-of-the-art embedding models on devices has been restricted due to their limited public availability and large resource footprint. Our work addresses these issues by publicly releasing a collection of paralinguistic speech models that are small and near state-of-the-art performance. Our approach is based on knowledge distillation, and our models are distilled on public data only. We explore different architectures and thoroughly evaluate our models on the Non-Semantic Speech (NOSS) benchmark. Our largest distilled model is less than 15% the size of the original model (314MB vs 2.2GB), achieves over 96% the accuracy on 6 of 7 tasks, and is trained on 6.5% the data. The smallest model is 1% in size (22MB) and achieves over 90% the accuracy on 6 of 7 tasks. Our models outperform the open source Wav2Vec 2.0 model on 6 of 7 tasks, and our smallest model outperforms the open source Wav2Vec 2.0 on both emotion recognition tasks despite being 7% the size.

DeepFakes are synthetic videos generated by swapping a face of an original image with the face of somebody else. In this paper, we describe our work to develop general, deep learning-based models to classify DeepFake content. We propose a novel framework for using Generative Adversarial Network (GAN)-based models, we call MRI-GAN, that utilizes perceptual differences in images to detect synthesized videos. We test our MRI-GAN approach and a plain-frames-based model using the DeepFake Detection Challenge Dataset. Our plain frames-based-model achieves 91% test accuracy and a model which uses our MRI-GAN framework with Structural Similarity Index Measurement (SSIM) for the perceptual differences achieves 74% test accuracy. The results of MRI-GAN are preliminary and may be improved further by modifying the choice of loss function, tuning hyper-parameters, or by using a more advanced perceptual similarity metric.  ( 2 min )

Effective resistance (ER) is an attractive way to interrogate the structure of graphs. It is an alternative to computing the eigen-vectors of the graph Laplacian. Graph laplacians are used to find low dimensional structures in high dimensional data. Here too, ER based analysis has advantages over eign-vector based methods. Unfortunately Von Luxburg et al. (2010) show that, when vertices correspond to a sample from a distribution over a metric space, the limit of the ER between distant points converges to a trivial quantity that holds no information about the structure of the graph. We show that by using scaling resistances in a graph with $n$ vertices by $n^2$, one gets a meaningful limit of the voltages and of effective resistances. We also show that by adding a "ground" node to a metric graph one gets a simple and natural way to compute all of the distances from a chosen point to all other points.

Transformers are becoming the mainstream solutions for various tasks like NLP and Computer vision. Despite their success, the high complexity of the attention mechanism hinders them from being applied to latency-sensitive tasks. Tremendous efforts have been made to alleviate this problem, and many of them successfully reduce the asymptotic complexity to linear. Nevertheless, most of them fail to achieve practical speedup over the original full attention under moderate sequence lengths and are unfriendly to finetuning. In this paper, we present DFSS, an attention mechanism that dynamically prunes the full attention weight matrix to N:M fine-grained structured sparse pattern. We provide both theoretical and empirical evidence that demonstrates DFSS is a good approximation of the full attention mechanism. We propose a dedicated CUDA kernel design that completely eliminates the dynamic pruning overhead and achieves speedups under arbitrary sequence length. We evaluate the 1:2 and 2:4 sparsity under different configurations and achieve 1.27~ 1.89x speedups over the full-attention mechanism. It only takes a couple of finetuning epochs from the pretrained model to achieve on par accuracy with full attention mechanism on tasks from various domains under different sequence lengths from 384 to 4096.

Robots operating in human-centered environments should have the ability to understand how objects function: what can be done with each object, where this interaction may occur, and how the object is used to achieve a goal. To this end, we propose a novel approach that extracts a self-supervised visual affordance model from human teleoperated play data and leverages it to enable efficient policy learning and motion planning. We combine model-based planning with model-free deep reinforcement learning (RL) to learn policies that favor the same object regions favored by people, while requiring minimal robot interactions with the environment. We evaluate our algorithm, Visual Affordance-guided Policy Optimization (VAPO), with both diverse simulation manipulation tasks and real world robot tidy-up experiments to demonstrate the effectiveness of our affordance-guided policies. We find that our policies train 4x faster than the baselines and generalize better to novel objects because our visual affordance model can anticipate their affordance regions.

To support the needs of ever-growing cloud-based services, the number of servers and network devices in data centers is increasing exponentially, which in turn results in high complexities and difficulties in network optimization. To address these challenges, both academia and industry turn to artificial intelligence technology to realize network intelligence. To this end, a considerable number of novel and creative machine learning-based (ML-based) research works have been put forward in recent few years. Nevertheless, there are still enormous challenges faced by the intelligent optimization of data center networks (DCNs), especially in the scenario of online real-time dynamic processing of massive heterogeneous services and traffic data. To best of our knowledge, there is a lack of systematic and original comprehensively investigations with in-depth analysis on intelligent DCN. To this end, in this paper, we comprehensively investigate the application of machine learning to data center networking, and provide a general overview and in-depth analysis of the recent works, covering flow prediction, flow classification, load balancing, resource management, routing optimization, and congestion control. In order to provide a multi-dimensional and multi-perspective comparison of various solutions, we design a quality assessment criteria called REBEL-3S to impartially measure the strengths and weaknesses of these research works. Moreover, we also present unique insights into the technology evolution of the fusion of data center network and machine learning, together with some challenges and potential future research opportunities.

Background and Objectives: Predicting patient response to treatment and survival in oncology is a prominent way towards precision medicine. To that end, radiomics was proposed as a field of study where images are used instead of invasive methods. The first step in radiomic analysis is the segmentation of the lesion. However, this task is time consuming and can be physician subjective. Automated tools based on supervised deep learning have made great progress to assist physicians. However, they are data hungry, and annotated data remains a major issue in the medical field where only a small subset of annotated images is available. Methods: In this work, we propose a multi-task learning framework to predict patient's survival and response. We show that the encoder can leverage multiple tasks to extract meaningful and powerful features that improve radiomics performance. We show also that subsidiary tasks serve as an inductive bias so that the model can better generalize. Results: Our model was tested and validated for treatment response and survival in lung and esophageal cancers, with an area under the ROC curve of 77% and 71% respectively, outperforming single task learning methods. Conclusions: We show that, by using a multi-task learning approach, we can boost the performance of radiomic analysis by extracting rich information of intratumoral and peritumoral regions.

Reinforcement learning defines the problem facing agents that learn to make good decisions through action and observation alone. To be effective problem solvers, such agents must efficiently explore vast worlds, assign credit from delayed feedback, and generalize to new experiences, all while making use of limited data, computational resources, and perceptual bandwidth. Abstraction is essential to all of these endeavors. Through abstraction, agents can form concise models of their environment that support the many practices required of a rational, adaptive decision maker. In this dissertation, I present a theory of abstraction in reinforcement learning. I first offer three desiderata for functions that carry out the process of abstraction: they should 1) preserve representation of near-optimal behavior, 2) be learned and constructed efficiently, and 3) lower planning or learning time. I then present a suite of new algorithms and analysis that clarify how agents can learn to abstract according to these desiderata. Collectively, these results provide a partial path toward the discovery and use of abstraction that minimizes the complexity of effective reinforcement learning.

We propose a framework for online meta-optimization of parameters that govern optimization, called Amortized Proximal Optimization (APO). We first interpret various existing neural network optimizers as approximate stochastic proximal point methods which trade off the current-batch loss with proximity terms in both function space and weight space. The idea behind APO is to amortize the minimization of the proximal point objective by meta-learning the parameters of an update rule. We show how APO can be used to adapt a learning rate or a structured preconditioning matrix. Under appropriate assumptions, APO can recover existing optimizers such as natural gradient descent and KFAC. It enjoys low computational overhead and avoids expensive and numerically sensitive operations required by some second-order optimizers, such as matrix inverses. We empirically test APO for online adaptation of learning rates and structured preconditioning matrices for regression, image reconstruction, image classification, and natural language translation tasks. Empirically, the learning rate schedules found by APO generally outperform optimal fixed learning rates and are competitive with manually tuned decay schedules. Using APO to adapt a structured preconditioning matrix generally results in optimization performance competitive with second-order methods. Moreover, the absence of matrix inversion provides numerical stability, making it effective for low precision training.

Epilepsy is one of the most common brain diseases that affect more than 1\% of the world's population. It is characterized by recurrent seizures, which come in different types and are treated differently. Electroencephalography (EEG) is commonly used in medical services to diagnose seizures and their types. The accurate identification of seizures helps to provide optimal treatment and accurate information to the patient. However, the manual diagnostic procedures of epileptic seizures are laborious and highly-specialized. Moreover, EEG manual evaluation is a process known to have a low inter-rater agreement among experts. This paper presents a novel automatic technique that involves extraction of specific features from EEG signals using Dual-tree Complex Wavelet Transform (DTCWT) and classifying them. We evaluated the proposed technique on TUH EEG Seizure Corpus (TUSZ) ver.1.5.2 dataset and compared the performance with existing state-of-the-art techniques using overall F1-score due to class imbalance seizure types. Our proposed technique achieved the best results of weighted F1-score of 99.1\% and 74.7\% for seizure-wise and patient-wise classification respectively, thereby setting new benchmark results for this dataset.

We propose a novel robust decentralized graph clustering algorithm that is provably equivalent to the popular spectral clustering approach. Our proposed method uses the existing wave equation clustering algorithm that is based on propagating waves through the graph. However, instead of using a fast Fourier transform (FFT) computation at every node, our proposed approach exploits the Koopman operator framework. Specifically, we show that propagating waves in the graph followed by a local dynamic mode decomposition (DMD) computation at every node is capable of retrieving the eigenvalues and the local eigenvector components of the graph Laplacian, thereby providing local cluster assignments for all nodes. We demonstrate that the DMD computation is more robust than the existing FFT based approach and requires 20 times fewer steps of the wave equation to accurately recover the clustering information and reduces the relative error by orders of magnitude. We demonstrate the decentralized approach on a range of graph clustering problems.  ( 2 min )

Generative Adversarial Networks (GANs) play an increasingly important role in machine learning. However, there is one fundamental issue hindering their practical applications: the absence of capability for encoding real-world samples. The conventional way of addressing this issue is to learn an encoder for GAN via Variational Auto-Encoder (VAE). In this paper, we show that the entanglement of the latent space for the VAE/GAN framework poses the main challenge for encoder learning. To address the entanglement issue and enable inference in GAN we propose a novel algorithm named Latently Invertible Autoencoder (LIA). The framework of LIA is that an invertible network and its inverse mapping are symmetrically embedded in the latent space of VAE. The decoder of LIA is first trained as a standard GAN with the invertible network and then the partial encoder is learned from a disentangled autoencoder by detaching the invertible network from LIA, thus avoiding the entanglement problem caused by the random latent space. Experiments conducted on the FFHQ face dataset and three LSUN datasets validate the effectiveness of LIA/GAN.

Neural ordinary differential equations (NODE) have been recently proposed as a promising approach for nonlinear system identification tasks. In this work, we systematically compare their predictive performance with current state-of-the-art nonlinear and classical linear methods. In particular, we present a quantitative study comparing NODE's performance against neural state-space models and classical linear system identification methods. We evaluate the inference speed and prediction performance of each method on open-loop errors across eight different dynamical systems. The experiments show that NODEs can consistently improve the prediction accuracy by an order of magnitude compared to benchmark methods. Besides improved accuracy, we also observed that NODEs are less sensitive to hyperparameters compared to neural state-space models. On the other hand, these performance gains come with a slight increase of computation at the inference time.

In the last few years, Deep Learning models have become increasingly popular. However, their deployment is still precluded in those contexts where the amount of supervised data is limited and manual labelling expensive. Active learning strategies aim at solving this problem by requiring supervision only on few unlabelled samples, which improve the most the model performances after adding them to the training set. Most strategies are based on uncertain sample selection, and even often restricted to samples lying close to the decision boundary. Here we propose a very different approach, taking into consideration domain knowledge. Indeed, in the case of multi-label classification, the relationships among classes offer a way to spot incoherent predictions, i.e., predictions where the model may most likely need supervision. We have developed a framework where first-order-logic knowledge is converted into constraints and their violation is checked as a natural guide for sample selection. We empirically demonstrate that knowledge-driven strategy outperforms standard uncertain strategies, particularly on those datasets where the domain knowledge is rich. Furthermore, we show how the proposed approach enables discovering data distributions lying far from initial training data.

Quantum support vector machines employ quantum circuits to define the kernel function. It has been shown that this approach offers a provable exponential speedup compared to any known classical algorithm for certain data sets. The training of such models corresponds to solving a convex optimization problem either via its primal or dual formulation. Due to the probabilistic nature of quantum mechanics, the training algorithms are affected by statistical uncertainty, which has a major impact on their complexity. We show that the dual problem can be solved in $\mathcal{O}(M^{4.67}/\varepsilon^2)$ quantum circuit evaluations, where $M$ denotes the size of the data set and $\varepsilon$ the solution accuracy. We prove under an empirically motivated assumption that the kernelized primal problem can alternatively be solved in $\mathcal{O}(\min \{ M^2/\varepsilon^6, \, 1/\varepsilon^{10} \})$ evaluations by employing a generalization of a known classical algorithm called Pegasos. Accompanying empirical results demonstrate these analytical complexities to be essentially tight. In addition, we investigate a variational approximation to quantum support vector machines and show that their heuristic training achieves considerably better scaling in our experiments.

Collaborative machine learning settings like federated learning can be susceptible to adversarial interference and attacks. One class of such attacks is termed model inversion attacks, characterised by the adversary reverse-engineering the model to extract representations and thus disclose the training data. Prior implementations of this attack typically only rely on the captured data (i.e. the shared gradients) and do not exploit the data the adversary themselves control as part of the training consortium. In this work, we propose a novel model inversion framework that builds on the foundations of gradient-based model inversion attacks, but additionally relies on matching the features and the style of the reconstructed image to data that is controlled by an adversary. Our technique outperforms existing gradient-based approaches both qualitatively and quantitatively, while still maintaining the same honest-but-curious threat model, allowing the adversary to obtain enhanced reconstructions while remaining concealed.

In this paper, we introduce an adaptive graph normalized least mean pth power (GNLMP) algorithm for graph signal processing (GSP) that utilizes GSP techniques, including bandlimited filtering and node sampling, to estimate sampled graph signals under impulsive noise. Different from least-squares-based algorithms, such as the adaptive GSP Least Mean Squares (GLMS) algorithm and the normalized GLMS (GNLMS) algorithm, the GNLMP algorithm has the ability to reconstruct a graph signal that is corrupted by non-Gaussian noise with heavy-tailed characteristics. Compared to the recently introduced adaptive GSP least mean pth power (GLMP) algorithm, the GNLMP algorithm reduces the number of iterations to converge to a steady graph signal. The convergence condition of the GNLMP algorithm is derived, and the ability of the GNLMP algorithm to process multidimensional time-varying graph signals with multiple features is demonstrated as well. Simulations show the performance of the GNLMP algorithm in estimating steady-state and time-varying graph signals is faster than GLMP and more robust in comparison to GLMS and GNLMS.

In this paper, we study private optimization problems for non-smooth convex functions $F(x)=\mathbb{E}_i f_i(x)$ on $\mathbb{R}^d$. We show that modifying the exponential mechanism by adding an $\ell_2^2$ regularizer to $F(x)$ and sampling from $\pi(x)\propto \exp(-k(F(x)+\mu\|x\|_2^2/2))$ recovers both the known optimal empirical risk and population loss under $(\epsilon,\delta)$-DP. Furthermore, we show how to implement this mechanism using $\widetilde{O}(n \min(d, n))$ queries to $f_i(x)$ for the DP-SCO where $n$ is the number of samples/users and $d$ is the ambient dimension. We also give a (nearly) matching lower bound $\widetilde{\Omega}(n \min(d, n))$ on the number of evaluation queries. Our results utilize the following tools that are of independent interest: (1) We prove Gaussian Differential Privacy (GDP) of the exponential mechanism if the loss function is strongly convex and the perturbation is Lipschitz. Our privacy bound is \emph{optimal} as it includes the privacy of Gaussian mechanism as a special case and is proved using the isoperimetric inequality for strongly log-concave measures. (2) We show how to sample from $\exp(-F(x)-\mu \|x\|^2_2/2)$ for $G$-Lipschitz $F$ with $\eta$ error in total variation (TV) distance using $\widetilde{O}((G^2/\mu) \log^2(d/\eta))$ unbiased queries to $F(x)$. This is the first sampler whose query complexity has \emph{polylogarithmic dependence} on both dimension $d$ and accuracy $\eta$.

When demonstrating a task, human tutors pedagogically modify their behavior by either "showing" the task rather than just "doing" it (exaggerating on relevant parts of the demonstration) or by giving demonstrations that best disambiguate the communicated goal. Analogously, human learners pragmatically infer the communicative intent of the tutor: they interpret what the tutor is trying to teach them and deduce relevant information for learning. Without such mechanisms, traditional Learning from Demonstration (LfD) algorithms will consider such demonstrations as sub-optimal. In this paper, we investigate the implementation of such mechanisms in a tutor-learner setup where both participants are artificial agents in an environment with multiple goals. Using pedagogy from the tutor and pragmatism from the learner, we show substantial improvements over standard learning from demonstrations.

We develop a modified online mirror descent framework that is suitable for building adaptive and parameter-free algorithms in unbounded domains. We leverage this technique to develop the first unconstrained online linear optimization algorithm achieving an optimal dynamic regret bound, and we further demonstrate that natural strategies based on Follow-the-Regularized-Leader are unable to achieve similar results. We also apply our mirror descent framework to build new parameter-free implicit updates, as well as a simplified and improved unconstrained scale-free algorithm.

In this paper, we propose systematic and efficient gradient-based methods for both one-way and two-way partial AUC (pAUC) maximization that are applicable to deep learning. We propose new formulations of pAUC surrogate objectives by using the distributionally robust optimization (DRO) to define the loss for each individual positive data. We consider two formulations of DRO, one of which is based on conditional-value-at-risk (CVaR) that yields a non-smooth but exact estimator for pAUC, and another one is based on a KL divergence regularized DRO that yields an inexact but smooth (soft) estimator for pAUC. For both one-way and two-way pAUC maximization, we propose two algorithms and prove their convergence for optimizing their two formulations, respectively. Experiments demonstrate the effectiveness of the proposed algorithms for pAUC maximization for deep learning on various datasets.

MadJax is a tool for generating and evaluating differentiable matrix elements of high energy scattering processes. As such, it is a step towards a differentiable programming paradigm in high energy physics that facilitates the incorporation of high energy physics domain knowledge, encoded in simulation software, into gradient based learning and optimization pipelines. MadJax comprises two components: (a) a plugin to the general purpose matrix element generator MadGraph that integrates matrix element and phase space sampling code with the JAX differentiable programming framework, and (b) a standalone wrapping API for accessing the matrix element code and its gradients, which are computed with automatic differentiation. The MadJax implementation and example applications of simulation based inference and normalizing flow based matrix element modeling, with capabilities enabled uniquely with differentiable matrix elements, are presented.

Neural networks are a convenient way to automatically fit functions that are too complex to be described by hand. The downside of this approach is that it leads to build a black-box without understanding what happened inside. Finding the preimage would help to better understand how and why such neural networks had given such outputs. Because most of the neural networks are noninjective function, it is often impossible to compute it entirely only by a numerical way. The point of this study is to give a method to compute the exact preimage of any Feed-Forward Neural Network with linear or piecewise linear activation functions for hidden layers. In contrast to other methods, this one is not returning a unique solution for a unique output but returns analytically the entire and exact preimage.

Multiscale modeling is an effective approach for investigating multiphysics systems with largely disparate size features, where models with different resolutions or heterogeneous descriptions are coupled together for predicting the system's response. The solver with lower fidelity (coarse) is responsible for simulating domains with homogeneous features, whereas the expensive high-fidelity (fine) model describes microscopic features with refined discretization, often making the overall cost prohibitively high, especially for time-dependent problems. In this work, we explore the idea of multiscale modeling with machine learning and employ DeepONet, a neural operator, as an efficient surrogate of the expensive solver. DeepONet is trained offline using data acquired from the fine solver for learning the underlying and possibly unknown fine-scale dynamics. It is then coupled with standard PDE solvers for predicting the multiscale systems with new boundary/initial conditions in the coupling stage. The proposed framework significantly reduces the computational cost of multiscale simulations since the DeepONet inference cost is negligible, facilitating readily the incorporation of a plurality of interface conditions and coupling schemes. We present various benchmarks to assess accuracy and speedup, and in particular we develop a coupling algorithm for a time-dependent problem, and we also demonstrate coupling of a continuum model (finite element methods, FEM) with a neural operator representation of a particle system (Smoothed Particle Hydrodynamics, SPH) for a uniaxial tension problem with hyperelastic material. What makes this approach unique is that a well-trained over-parametrized DeepONet can generalize well and make predictions at a negligible cost.

We present a domain-theoretic framework for validated robustness analysis of neural networks. We first analyze the global robustness of a general class of networks. Then, using the fact that, over finite-dimensional Banach spaces, the domain-theoretic L-derivative coincides with Clarke's generalized gradient, we extend our framework for attack-agnostic local robustness analysis. Our framework is ideal for designing algorithms which are correct by construction. We exemplify this claim by developing a validated algorithm for estimation of Lipschitz constant of feedforward regressors. We prove the completeness of the algorithm over differentiable networks, and also over general position ReLU networks. Within our domain model, differentiable and non-differentiable networks can be analyzed uniformly. We implement our algorithm using arbitrary-precision interval arithmetic, and present the results of some experiments. Our implementation is truly validated, as it handles floating-point errors as well.

In this paper, we propose a simple yet effective method to stabilize extremely deep Transformers. Specifically, we introduce a new normalization function (DeepNorm) to modify the residual connection in Transformer, accompanying with theoretically derived initialization. In-depth theoretical analysis shows that model updates can be bounded in a stable way. The proposed method combines the best of two worlds, i.e., good performance of Post-LN and stable training of Pre-LN, making DeepNorm a preferred alternative. We successfully scale Transformers up to 1,000 layers (i.e., 2,500 attention and feed-forward network sublayers) without difficulty, which is one order of magnitude deeper than previous deep Transformers. Remarkably, on a multilingual benchmark with 7,482 translation directions, our 200-layer model with 3.2B parameters significantly outperforms the 48-layer state-of-the-art model with 12B parameters by 5 BLEU points, which indicates a promising scaling direction.

In this paper, we present ApacheJIT, a large dataset for Just-In-Time defect prediction. ApacheJIT consists of clean and bug-inducing software changes in popular Apache projects. ApacheJIT has a total of 106,674 commits (28,239 bug-inducing and 78,435 clean commits). Having a large number of commits makes ApacheJIT a suitable dataset for machine learning models, especially deep learning models that require large training sets to effectively generalize the patterns present in the historical data to future data. In addition to the original dataset, we also present carefully selected training and test sets that we recommend to be used in training and evaluating machine learning models.

Variable importance measures are the main tools to analyze the black-box mechanisms of random forests. Although the mean decrease accuracy (MDA) is widely accepted as the most efficient variable importance measure for random forests, little is known about its statistical properties. In fact, the definition of MDA varies across the main random forest software. In this article, our objective is to rigorously analyze the behavior of the main MDA implementations. Consequently, we mathematically formalize the various implemented MDA algorithms, and then establish their limits when the sample size increases. This asymptotic analysis reveals that these MDA versions differ as importance measures, since they converge towards different quantities. More importantly, we break down these limits into three components: the first two terms are related to Sobol indices, which are well-defined measures of a covariate contribution to the response variance, widely used in the sensitivity analysis field, as opposed to the third term, whose value increases with dependence within covariates. Thus, we theoretically demonstrate that the MDA does not target the right quantity to detect influential covariates in a dependent setting, a fact that has already been noticed experimentally. To address this issue, we define a new importance measure for random forests, the Sobol-MDA, which fixes the flaws of the original MDA, and consistently estimates the accuracy decrease of the forest retrained without a given covariate, but with an efficient computational cost. The Sobol-MDA empirically outperforms its competitors on both simulated and real data for variable selection. An open source implementation in R and C++ is available online.

Existing deep-learning based tomographic image reconstruction methods do not provide accurate estimates of reconstruction uncertainty, hindering their real-world deployment. To address this limitation, we construct a Bayesian prior for tomographic reconstruction, which combines the classical total variation (TV) regulariser with the modern deep image prior (DIP). Specifically, we use a change of variables to connect our prior beliefs on the image TV semi-norm with the hyper-parameters of the DIP network. For the inference, we develop an approach based on the linearised Laplace method, which is scalable to high-dimensional settings. The resulting framework provides pixel-wise uncertainty estimates and a marginal likelihood objective for hyperparameter optimisation. We demonstrate the method on synthetic and real-measured high-resolution $\mu$CT data, and show that it provides superior calibration of uncertainty estimates relative to previous probabilistic formulations of the DIP.

The low dimensional manifold hypothesis posits that the data found in many applications, such as those involving natural images, lie (approximately) on low dimensional manifolds embedded in a high dimensional Euclidean space. In this setting, a typical neural network defines a function that takes a finite number of vectors in the embedding space as input. However, one often needs to consider evaluating the optimized network at points outside the training distribution. This paper considers the case in which the training data is distributed in a linear subspace of $\mathbb R^d$. We derive estimates on the variation of the learning function, defined by a neural network, in the direction transversal to the subspace. We study the potential regularization effects associated with the network's depth and noise in the codimension of the data manifold. We also present additional side effects in training due to the presence of noise.

The Laplace approximation has been one of the workhorses of Bayesian inference. It often delivers good approximations in practice despite the fact that it does not strictly take into account where the volume of posterior density lies. Variational approaches avoid this issue by explicitly minimising the Kullback-Leibler divergence DKL between a postulated posterior and the true (unnormalised) logarithmic posterior. However, they rely on a closed form DKL in order to update the variational parameters. To address this, stochastic versions of variational inference have been devised that approximate the intractable DKL with a Monte Carlo average. This approximation allows calculating gradients with respect to the variational parameters. However, variational methods often postulate a factorised Gaussian approximating posterior. In doing so, they sacrifice a-posteriori correlations. In this work, we propose a method that combines the Laplace approximation with the variational approach. The advantages are that we maintain: applicability on non-conjugate models, posterior correlations and a reduced number of free variational parameters. Numerical experiments demonstrate improvement over the Laplace approximation and variational inference with factorised Gaussian posteriors.

We provide details on the implementation of a machine-learning based particle flow algorithm for CMS. The standard particle flow algorithm reconstructs stable particles based on calorimeter clusters and tracks to provide a global event reconstruction that exploits the combined information of multiple detector subsystems, leading to strong improvements for quantities such as jets and missing transverse energy. We have studied a possible evolution of particle flow towards heterogeneous computing platforms such as GPUs using a graph neural network. The machine-learned PF model reconstructs particle candidates based on the full list of tracks and calorimeter clusters in the event. For validation, we determine the physics performance directly in the CMS software framework when the proposed algorithm is interfaced with the offline reconstruction of jets and missing transverse energy. We also report the computational performance of the algorithm, which scales approximately linearly in runtime and memory usage with the input size.  ( 2 min )

We analyze Local SGD (aka parallel or federated SGD) and Minibatch SGD in the heterogeneous distributed setting, where each machine has access to stochastic gradient estimates for a different, machine-specific, convex objective; the goal is to optimize w.r.t. the average objective; and machines can only communicate intermittently. We argue that, (i) Minibatch SGD (even without acceleration) dominates all existing analysis of Local SGD in this setting, (ii) accelerated Minibatch SGD is optimal when the heterogeneity is high, and (iii) present the first upper bound for Local SGD that improves over Minibatch SGD in a non-homogeneous regime.  ( 2 min )

In this paper, we introduce Target-Aware Weighted Training (TAWT), a weighted training algorithm for cross-task learning based on minimizing a representation-based task distance between the source and target tasks. We show that TAWT is easy to implement, is computationally efficient, requires little hyperparameter tuning, and enjoys non-asymptotic learning-theoretic guarantees. The effectiveness of TAWT is corroborated through extensive experiments with BERT on four sequence tagging tasks in natural language processing (NLP), including part-of-speech (PoS) tagging, chunking, predicate detection, and named entity recognition (NER). As a byproduct, the proposed representation-based task distance allows one to reason in a theoretically principled way about several critical aspects of cross-task learning, such as the choice of the source data and the impact of fine-tuning.  ( 2 min )

Adapting Automatic Speech Recognition (ASR) models to new domains leads to a deterioration of performance on the original domain(s), a phenomenon called Catastrophic Forgetting (CF). Even monolingual ASR models cannot be extended to new accents, dialects, topics, etc. without suffering from CF, making them unable to be continually enhanced without storing all past data. Fortunately, Continual Learning (CL) methods, which aim to enable continual adaptation while overcoming CF, can be used. In this paper, we implement an extensive number of CL methods for End-to-End ASR and test and compare their ability to extend a monolingual Hybrid CTC-Transformer model across four new tasks. We find that the best performing CL method closes the gap between the fine-tuned model (lower bound) and the model trained jointly on all tasks (upper bound) by more than 40%, while requiring access to only 0.6% of the original data.  ( 2 min )

We develop a modified online mirror descent framework that is suitable for building adaptive and parameter-free algorithms in unbounded domains. We leverage this technique to develop the first unconstrained online linear optimization algorithm achieving an optimal dynamic regret bound, and we further demonstrate that natural strategies based on Follow-the-Regularized-Leader are unable to achieve similar results. We also apply our mirror descent framework to build new parameter-free implicit updates, as well as a simplified and improved unconstrained scale-free algorithm.  ( 2 min )

Recent studies have shown that deep neural networks are vulnerable to adversarial attacks, including evasion and backdoor (poisoning) attacks. On the defense side, there have been intensive efforts on improving both empirical and provable robustness against evasion attacks; however, provable robustness against backdoor attacks still remains largely unexplored. In this paper, we focus on certifying the machine learning model robustness against general threat models, especially backdoor attacks. We first provide a unified framework via randomized smoothing techniques and show how it can be instantiated to certify the robustness against both evasion and backdoor attacks. We then propose the first robust training process, RAB, to smooth the trained model and certify its robustness against backdoor attacks. We theoretically prove the robustness bound for machine learning models trained with RAB, and prove that our robustness bound is tight. We derive the robustness conditions for different smoothing distributions including Gaussian and uniform distributions. In addition, we theoretically show that it is possible to train the robust smoothed models efficiently for simple models such as K-nearest neighbor classifiers, and we propose an exact smooth-training algorithm which eliminates the need to sample from a noise distribution for such models. Empirically, we conduct comprehensive experiments for different machine learning models such as DNNs and K-NN models on MNIST, CIFAR-10, and ImageNette datasets and provide the first benchmark for certified robustness against backdoor attacks. In addition, we evaluate K-NN models on a spambase tabular dataset to demonstrate the advantages of the proposed exact algorithm. Both the theoretic analysis and the comprehensive evaluation on diverse ML models and datasets shed lights on further robust learning strategies against general training time attacks.  ( 3 min )

The Concordance Index (C-index) is a commonly used metric in Survival Analysis to evaluate how good a prediction model is. This paper proposes a decomposition of the C-Index into a weighted harmonic mean of two quantities: one for ranking observed events versus other observed events, and the other for ranking observed events versus censored cases. This decomposition allows a more fine-grained analysis of the pros and cons of survival prediction methods. The utility of the decomposition is demonstrated using three benchmark survival analysis models (Cox Proportional Hazard, Random Survival Forest, and Deep Adversarial Time-to-Event Network) together with a new variational generative neural-network-based method (SurVED), which is also proposed in this paper. The demonstration is done on four publicly available datasets with varying censoring levels. The analysis with the C-index decomposition shows that all methods essentially perform equally well when the censoring level is high because of the dominance of the term measuring the ranking of events versus censored cases. In contrast, some methods deteriorate when the censoring level decreases because they do not rank the events versus other events well.  ( 2 min )

In reinforcement learning, state representations are used to tractably deal with large problem spaces. State representations serve both to approximate the value function with few parameters, but also to generalize to newly encountered states. Their features may be learned implicitly (as part of a neural network) or explicitly (for example, the successor representation of \citet{dayan1993improving}). While the approximation properties of representations are reasonably well-understood, a precise characterization of how and when these representations generalize is lacking. In this work, we address this gap and provide an informative bound on the generalization error arising from a specific state representation. This bound is based on the notion of effective dimension which measures the degree to which knowing the value at one state informs the value at other states. Our bound applies to any state representation and quantifies the natural tension between representations that generalize well and those that approximate well. We complement our theoretical results with an empirical survey of classic representation learning methods from the literature and results on the Arcade Learning Environment, and find that the generalization behaviour of learned representations is well-explained by their effective dimension.  ( 2 min )

Significant progress has been made in developing identification and estimation techniques for missing data problems where modeling assumptions can be described via a directed acyclic graph. The validity of results using such techniques rely on the assumptions encoded by the graph holding true; however, verification of these assumptions has not received sufficient attention in prior work. In this paper, we provide new insights on the testable implications of three broad classes of missing data graphical models, and design goodness-of-fit tests around them. The classes of models explored are: sequential missing-at-random and missing-not-at-random models which can be used for modeling longitudinal studies with dropout/censoring, and a kind of no self-censoring model which can be applied to cross-sectional studies and surveys.  ( 2 min )

Traditional methods for matching in causal inference are impractical for high-dimensional datasets. They suffer from the curse of dimensionality: exact matching and coarsened exact matching find exponentially fewer matches as the input dimension grows, and propensity score matching may match highly unrelated units together. To overcome this problem, we develop theoretical results which motivate the use of neural networks to obtain non-trivial, multivariate balancing scores of a chosen level of coarseness, in contrast to the classical, scalar propensity score. We leverage these balancing scores to perform matching for high-dimensional causal inference and call this procedure neural score matching. We show that our method is competitive against other matching approaches on semi-synthetic high-dimensional datasets, both in terms of treatment effect estimation and reducing imbalance.  ( 2 min )

Penalized estimation can conduct variable selection and parameter estimation simultaneously. The general framework is to minimize a loss function subject to a penalty designed to generate sparse variable selection. The majorization-minimization (MM) algorithm is a computational scheme for stability and simplicity, and the MM algorithm has been widely applied in penalized estimation. Much of the previous work have focused on convex loss functions such as generalized linear models. When data are contaminated with outliers, robust loss functions can generate more reliable estimates. Recent literature has witnessed a growing impact of nonconvex loss-based methods, which can generate robust estimation for data contaminated with outliers. This article investigates MM algorithm for penalized estimation, provide innovative optimality conditions and establish convergence theory with both convex and nonconvex loss functions. With respect to applications, we focus on several nonconvex loss functions, which were formerly studied in machine learning for regression and classification problems. Performance of the proposed algorithms are evaluated on simulated and real data including healthcare costs and cancer clinical status. Efficient implementations of the algorithms are available in the R package mpath in CRAN.  ( 2 min )

The identification of relevant features, i.e., the driving variables that determine a process or the properties of a system, is an essential part of the analysis of data sets with a large number of variables. A mathematical rigorous approach to quantifying the relevance of these features is mutual information. Mutual information determines the relevance of features in terms of their joint mutual dependence to the property of interest. However, mutual information requires as input probability distributions, which cannot be reliably estimated from continuous distributions such as physical quantities like lengths or energies. Here, we introduce total cumulative mutual information (TCMI), a measure of the relevance of mutual dependences that extends mutual information to random variables of continuous distribution based on cumulative probability distributions. TCMI is a non-parametric, robust, and deterministic measure that facilitates comparisons and rankings between feature sets with different cardinality. The ranking induced by TCMI allows for feature selection, i.e., the identification of variable sets that are nonlinear statistically related to a property of interest, taking into account the number of data samples as well as the cardinality of the set of variables. We evaluate the performance of our measure with simulated data, compare its performance with similar multivariate-dependence measures, and demonstrate the effectiveness of our feature-selection method on a set of standard data sets and a typical scenario in materials science.  ( 2 min )

This article is the result of a collaboration between Fujitsu and Advestis. This collaboration aims at refactoring and running an algorithm based on systematic exploration producing investment recommendations on a high-performance computer of the Fugaku, to see whether a very high number of cores could allow for a deeper exploration of the data compared to a cloud machine, hopefully resulting in better predictions. We found that an increase in the number of explored rules results in a net increase in the predictive performance of the final ruleset. Also, in the particular case of this study, we found that using more than around 40 cores does not bring a significant computation time gain. However, the origin of this limitation is explained by a threshold-based search heuristic used to prune the search space. We have evidence that for similar data sets with less restrictive thresholds, the number of cores actually used could very well be much higher, allowing parallelization to have a much greater effect.  ( 2 min )

We consider the problem of characterizing directed acyclic graph (DAG) models up to unconditional equivalence, i.e., when two DAGs have the same set of unconditional d-separation statements. Each unconditional equivalence class (UEC) can be uniquely represented with an undirected graph whose clique structure encodes the members of the class. Via this structure, we provide a transformational characterization of unconditional equivalence. Combining these results, we introduce a hybrid algorithm for learning DAG models from observational data, called Greedy Unconditional Equivalence Search (GUES), which first estimates the UEC of the data using independence tests and then greedily searches the UEC for the optimal DAG. Applying GUES on synthetic data, we show that it achieves comparable accuracy to existing methods. However, in contrast to existing methods, since the average UEC is observed to contain few DAGs, the search space for GUES is drastically reduced.  ( 2 min )

Similarity learning is a general problem to elicit useful representations by predicting the relationship between a pair of patterns. This problem is related to various important preprocessing tasks such as metric learning, kernel learning, and contrastive learning. A classifier built upon the representations is expected to perform well in downstream classification; however, little theory has been given in literature so far and thereby the relationship between similarity and classification has remained elusive. Therefore, we tackle a fundamental question: can similarity information provably leads a model to perform well in downstream classification? In this paper, we reveal that a product-type formulation of similarity learning is strongly related to an objective of binary classification. We further show that these two different problems are explicitly connected by an excess risk bound. Consequently, our results elucidate that similarity learning is capable of solving binary classification by directly eliciting a decision boundary.  ( 2 min )

Riemannian Gaussian distributions were initially introduced as basic building blocks for learning models which aim to capture the intrinsic structure of statistical populations of positive-definite matrices (here called covariance matrices). While the potential applications of such models have attracted significant attention, a major obstacle still stands in the way of these applications: there seems to exist no practical method of computing the normalising factors associated with Riemannian Gaussian distributions on spaces of high-dimensional covariance matrices. The present paper shows that this missing method comes from an unexpected new connection with random matrix theory. Its main contribution is to prove that Riemannian Gaussian distributions of real, complex, or quaternion covariance matrices are equivalent to orthogonal, unitary, or symplectic log-normal matrix ensembles. This equivalence yields a highly efficient approximation of the normalising factors, in terms of a rather simple analytic expression. The error due to this approximation decreases like the inverse square of dimension. Numerical experiments are conducted which demonstrate how this new approximation can unlock the difficulties which have impeded applications to real-world datasets of high-dimensional covariance matrices. The paper then turns to Riemannian Gaussian distributions of block-Toeplitz covariance matrices. These are equivalent to yet another kind of random matrix ensembles, here called "acosh-normal" ensembles. Orthogonal and unitary "acosh-normal" ensembles correspond to the cases of block-Toeplitz with Toeplitz blocks, and block-Toeplitz (with general blocks) covariance matrices, respectively.  ( 2 min )

In lifelong learning, tasks (or classes) to be learned arrive sequentially over time in arbitrary order. During training, knowledge from previous tasks can be captured and transferred to subsequent ones to improve sample efficiency. We consider the setting where all target tasks can be represented in the span of a small number of unknown linear or nonlinear features of the input data. We propose a lifelong learning algorithm that maintains and refines the internal feature representation. We prove that for any desired accuracy on all tasks, the dimension of the representation remains close to that of the underlying representation. The resulting sample complexity improves significantly on existing bounds. In the setting of linear features, our algorithm is provably efficient and the sample complexity for input dimension $d$, $m$ tasks with $k$ features up to error $\epsilon$ is $\tilde{O}(dk^{1.5}/\epsilon+km/\epsilon)$. We also prove a matching lower bound for any lifelong learning algorithm that uses a single task learner as a black box. We complement our analysis with an empirical study, including a heuristic lifelong learning algorithm for deep neural networks. Our method performs favorably on challenging realistic image datasets compared to state-of-the-art continual learning methods.  ( 2 min )

Data augmentation is often used to incorporate inductive biases into models. Traditionally, these are hand-crafted and tuned with cross validation. The Bayesian paradigm for model selection provides a path towards end-to-end learning of invariances using only the training data, by optimising the marginal likelihood. Computing the marginal likelihood is hard for neural networks, but success with tractable approaches that compute the marginal likelihood for the last layer only raises the question of whether this convenient approach might be employed for learning invariances. We show partial success on standard benchmarks, in the low-data regime and on a medical imaging dataset by designing a custom optimisation routine. Introducing a new lower bound to the marginal likelihood allows us to perform inference for a larger class of likelihood functions than before. On the other hand, we demonstrate failure modes on the CIFAR10 dataset, where the last layer approximation is not sufficient due to the increased complexity of our neural network. Our results indicate that once more sophisticated approximations become available the marginal likelihood is a promising approach for invariance learning in neural networks.  ( 2 min )

In this paper, we propose systematic and efficient gradient-based methods for both one-way and two-way partial AUC (pAUC) maximization that are applicable to deep learning. We propose new formulations of pAUC surrogate objectives by using the distributionally robust optimization (DRO) to define the loss for each individual positive data. We consider two formulations of DRO, one of which is based on conditional-value-at-risk (CVaR) that yields a non-smooth but exact estimator for pAUC, and another one is based on a KL divergence regularized DRO that yields an inexact but smooth (soft) estimator for pAUC. For both one-way and two-way pAUC maximization, we propose two algorithms and prove their convergence for optimizing their two formulations, respectively. Experiments demonstrate the effectiveness of the proposed algorithms for pAUC maximization for deep learning on various datasets.  ( 2 min )

We consider a multi-agent multi-armed bandit setting in which $n$ honest agents collaborate over a network to minimize regret but $m$ malicious agents can disrupt learning arbitrarily. Assuming the network is the complete graph, existing algorithms incur $O( (m + K/n) \log (T) / \Delta )$ regret in this setting, where $K$ is the number of arms and $\Delta$ is the arm gap. For $m \ll K$, this improves over the single-agent baseline regret of $O(K\log(T)/\Delta)$. In this work, we show the situation is murkier beyond the case of a complete graph. In particular, we prove that if the state-of-the-art algorithm is used on the undirected line graph, honest agents can suffer (nearly) linear regret until time is doubly exponential in $K$ and $n$. In light of this negative result, we propose a new algorithm for which the $i$-th agent has regret $O( ( d_{\text{mal}}(i) + K/n) \log(T)/\Delta)$ on any connected and undirected graph, where $d_{\text{mal}}(i)$ is the number of $i$'s neighbors who are malicious. Thus, we generalize existing regret bounds beyond the complete graph (where $d_{\text{mal}}(i) = m$), and show the effect of malicious agents is entirely local (in the sense that only the $d_{\text{mal}}(i)$ malicious agents directly connected to $i$ affect its long-term regret).  ( 2 min )

We propose a framework for online meta-optimization of parameters that govern optimization, called Amortized Proximal Optimization (APO). We first interpret various existing neural network optimizers as approximate stochastic proximal point methods which trade off the current-batch loss with proximity terms in both function space and weight space. The idea behind APO is to amortize the minimization of the proximal point objective by meta-learning the parameters of an update rule. We show how APO can be used to adapt a learning rate or a structured preconditioning matrix. Under appropriate assumptions, APO can recover existing optimizers such as natural gradient descent and KFAC. It enjoys low computational overhead and avoids expensive and numerically sensitive operations required by some second-order optimizers, such as matrix inverses. We empirically test APO for online adaptation of learning rates and structured preconditioning matrices for regression, image reconstruction, image classification, and natural language translation tasks. Empirically, the learning rate schedules found by APO generally outperform optimal fixed learning rates and are competitive with manually tuned decay schedules. Using APO to adapt a structured preconditioning matrix generally results in optimization performance competitive with second-order methods. Moreover, the absence of matrix inversion provides numerical stability, making it effective for low precision training.  ( 2 min )

Generative Adversarial Networks (GANs) play an increasingly important role in machine learning. However, there is one fundamental issue hindering their practical applications: the absence of capability for encoding real-world samples. The conventional way of addressing this issue is to learn an encoder for GAN via Variational Auto-Encoder (VAE). In this paper, we show that the entanglement of the latent space for the VAE/GAN framework poses the main challenge for encoder learning. To address the entanglement issue and enable inference in GAN we propose a novel algorithm named Latently Invertible Autoencoder (LIA). The framework of LIA is that an invertible network and its inverse mapping are symmetrically embedded in the latent space of VAE. The decoder of LIA is first trained as a standard GAN with the invertible network and then the partial encoder is learned from a disentangled autoencoder by detaching the invertible network from LIA, thus avoiding the entanglement problem caused by the random latent space. Experiments conducted on the FFHQ face dataset and three LSUN datasets validate the effectiveness of LIA/GAN.  ( 2 min )

Variational autoencdoers (VAE) are a popular approach to generative modelling. However, exploiting the capabilities of VAEs in practice can be difficult. Recent work on regularised and entropic autoencoders have begun to explore the potential, for generative modelling, of removing the variational approach and returning to the classic deterministic autoencoder (DAE) with additional novel regularisation methods. In this paper we empirically explore the capability of DAEs for image generation without additional novel methods and the effect of the implicit regularisation and smoothness of large networks. We find that DAEs can be used successfully for image generation without additional loss terms, and that many of the useful properties of VAEs can arise implicitly from sufficiently large convolutional encoders and decoders when trained on CIFAR-10 and CelebA.  ( 2 min )

We propose a kernel-spectral embedding algorithm for learning low-dimensional nonlinear structures from high-dimensional and noisy observations, where the datasets are assumed to be sampled from an intrinsically low-dimensional manifold and corrupted by high-dimensional noise. The algorithm employs an adaptive bandwidth selection procedure which does not rely on prior knowledge of the underlying manifold. The obtained low-dimensional embeddings can be further utilized for downstream purposes such as data visualization, clustering and prediction. Our method is theoretically justified and practically interpretable. Specifically, we establish the convergence of the final embeddings to their noiseless counterparts when the dimension and size of the samples are comparably large, and characterize the effect of the signal-to-noise ratio on the rate of convergence and phase transition. We also prove convergence of the embeddings to the eigenfunctions of an integral operator defined by the kernel map of some reproducing kernel Hilbert space capturing the underlying nonlinear structures. Numerical simulations and analysis of three real datasets show the superior empirical performance of the proposed method, compared to many existing methods, on learning various manifolds in diverse applications.  ( 2 min )

Generating music with deep neural networks has been an area of active research in recent years. While the quality of generated samples has been steadily increasing, most methods are only able to exert minimal control over the generated sequence, if any. We propose the self-supervised description-to-sequence task, which allows for fine-grained controllable generation on a global level. We do so by extracting high-level features about the target sequence and learning the conditional distribution of sequences given the corresponding high-level description in a sequence-to-sequence modelling setup. We train FIGARO (FIne-grained music Generation via Attention-based, RObust control) by applying description-to-sequence modelling to symbolic music. By combining learned high level features with domain knowledge, which acts as a strong inductive bias, the model achieves state-of-the-art results in controllable symbolic music generation and generalizes well beyond the training distribution.  ( 2 min )

Physical simulations based on partial differential equations typically generate spatial fields results, which are utilized to calculate specific properties of a system for engineering design and optimization. Due to the intensive computational burden of the simulations, a surrogate model mapping the low-dimensional inputs to the spatial fields are commonly built based on a relatively small dataset. To resolve the challenge of predicting the whole spatial field, the popular linear model of coregionalization (LMC) can disentangle complicated correlations within the high-dimensional spatial field outputs and deliver accurate predictions. However, LMC fails if the spatial field cannot be well approximated by a linear combination of base functions with latent processes. In this paper, we extend LMC by introducing an invertible neural network to linearize the highly complex and nonlinear spatial fields such that the LMC can easily generalize to nonlinear problems while preserving the traceability and scalability. Several real-world applications demonstrate that E-LMC can exploit spatial correlations effectively, showing a maximum improvement of about 40% over the original LMC and outperforming the other state-of-the-art spatial field models.  ( 2 min )

Deep learning has proven effective across a range of data sets. In light of this, a natural inquiry is: "for what data generating processes can deep learning succeed?" In this work, we study the sample complexity of learning multilayer data generating processes of a sort for which deep neural networks seem to be suited. We develop general and elegant information-theoretic tools that accommodate analysis of any data generating process -- shallow or deep, parametric or nonparametric, noiseless or noisy. We then use these tools to characterize the dependence of sample complexity on the depth of multilayer processes. Our results indicate roughly linear dependence on depth. This is in contrast to previous results that suggest exponential or high-order polynomial dependence.  ( 2 min )

Typical state of the art flow cytometry data samples consists of measures of more than 100.000 cells in 10 or more features. AI systems are able to diagnose such data with almost the same accuracy as human experts. However, there is one central challenge in such systems: their decisions have far-reaching consequences for the health and life of people, and therefore, the decisions of AI systems need to be understandable and justifiable by humans. In this work, we present a novel explainable AI method, called ALPODS, which is able to classify (diagnose) cases based on clusters, i.e., subpopulations, in the high-dimensional data. ALPODS is able to explain its decisions in a form that is understandable for human experts. For the identified subpopulations, fuzzy reasoning rules expressed in the typical language of domain experts are generated. A visualization method based on these rules allows human experts to understand the reasoning used by the AI system. A comparison to a selection of state of the art explainable AI systems shows that ALPODS operates efficiently on known benchmark data and also on everyday routine case data.  ( 2 min )

Understanding how feature learning affects generalization is among the foremost goals of modern deep learning theory. Here, we study how the ability to learn representations affects the generalization performance of a simple class of models: deep Bayesian linear neural networks trained on unstructured Gaussian data. By comparing deep random feature models to deep networks in which all layers are trained, we provide a detailed characterization of the interplay between width, depth, data density, and prior mismatch. We show that both models display sample-wise double-descent behavior in the presence of label noise. Random feature models can also display model-wise double-descent if there are narrow bottleneck layers, while deep networks do not show these divergences. Random feature models can have particular widths that are optimal for generalization at a given data density, while making neural networks as wide or as narrow as possible is always optimal. Moreover, we show that the leading-order correction to the kernel-limit learning curve cannot distinguish between random feature models and deep networks in which all layers are trained. Taken together, our findings begin to elucidate how architectural details affect generalization performance in this simple class of deep regression models.  ( 2 min )

Information field theory (IFT), the information theory for fields, is a mathematical framework for signal reconstruction and non-parametric inverse problems. Artificial intelligence (AI) and machine learning (ML) aim at generating intelligent systems including such for perception, cognition, and learning. This overlaps with IFT, which is designed to address perception, reasoning, and inference tasks. Here, the relation between concepts and tools in IFT and those in AI and ML research are discussed. In the context of IFT, fields denote physical quantities that change continuously as a function of space (and time) and information theory refers to Bayesian probabilistic logic equipped with the associated entropic information measures. Reconstructing a signal with IFT is a computational problem similar to training a generative neural network (GNN) in ML. In this paper, the process of inference in IFT is reformulated in terms of GNN training. In contrast to classical neural networks, IFT based GNNs can operate without pre-training thanks to incorporating expert knowledge into their architecture. Furthermore, the cross-fertilization of variational inference methods used in IFT and ML are discussed. These discussions suggests that IFT is well suited to address many problems in AI and ML research and application.  ( 2 min )

To any current residents or ex residents at Apple - I was curious as to on whether you've had an overall positive experience from it - e.g. did you find that the program was actually well organized to gear you towards research/publishing or if it was the case that you were left on your own to find projects, contact people. Any other sort of feedback will also be greatly appreciated. Also, to anyone else who applied this year: have you heard back the results? submitted by /u/SnooSuggestions6394 [link] [comments]  ( 1 min )

https://youtu.be/C5sWbYwzKyg I'm very happy to present this interview with Rémi Leblond and Peter Choy, two co-creators of AlphaCode! Learn the story behind the paper, whether these models actually understand the code they write, and what the future of AI code systems has in store. OUTLINE: 0:00 - Intro 1:10 - Media Reception 5:10 - How did the project go from start to finish? 9:15 - Does the model understand its own code? 14:45 - Are there plans to reduce the number of samples? 16:15 - Could one do smarter filtering of samples? 18:55 - How crucial are the public test cases? 21:55 - Could we imagine an adversarial method? 24:45 - How are coding problems even made? 27:40 - Does AlphaCode evaluate a solution's asymptotic complexity? 33:15 - Are our sampling procedures inappropriate for diversity? 36:30 - Are all generated solutions as instructive as the example? 41:30 - How are synthetic examples created during training? 42:30 - What were high and low points during this research? 45:25 - What was the most valid criticism after publication? 47:40 - What are applications in the real world? 51:00 - Where do we go from here? ​ Paper: https://storage.googleapis.com/deepmind-media/AlphaCode/competition_level_code_generation_with_alphacode.pdf Code: https://github.com/deepmind/code_contests Paper review video here: https://youtu.be/s9UAOmyah1A submitted by /u/ykilcher [link] [comments]  ( 1 min )

I have a heap of before and after photos of deck restorations - timber decking that looks old and weathered that we restore and it looks like new again. I was thinking that I could train a model using the before and after photos so that new clients could generate a fictitious "after" photo to help win them over. I'm reasonable with Python, C/C++ but not done any ML yet. Just wondering if you folks could point me in the right direction in terms of Python libraries / models / research that might be useful in this project. Photos at lovethedeck.com.au to see the dataset we're working with. submitted by /u/cmskipsey [link] [comments]  ( 1 min )

Hi, I was reading about the potential havoc Russia could cause in Ukraine by deepfaking Zelazny surendering or giving heinous orders. I thought we could preempt that by creating a deepfake of Vladimir Putin explaining how much he enjoys fucking animals which would end with a warning about deepfakes. If it went viral a lot of people might get inoculated in a way against the damage Russia could cause with this. If you can't find the courage to post it yourself, send it over and I can do it, I'm not afraid of that little fuck. And to clarify I don't have the skillset to do this myself, that's why I'm asking for advice and help here. submitted by /u/Krad23 [link] [comments]  ( 1 min )

This is a beefed version of SEER which was released a year ago, scaled from 1B to 10B parameters, showing improved generalization on different tasks. Also, the self supervised learning (SSL) allowed for a better coverage of the world , thus reducing bias from labelled datasets mostly originating from specific countries (e.g. US). Results look very nice. More details in their post. submitted by /u/k-folder [link] [comments]  ( 1 min )

What is the state/opinion of the field on these three competing services as of the present? I feel there are significant overlaps but how is the user experience. (I have used W&B and it seems okay'ish - just an extension of Tensorboard). Interested to hear community's thoughts submitted by /u/mlbloke [link] [comments]  ( 1 min )

I am reading one the recent papers by Yan https://arxiv.org/abs/2110.09348 about dimensionality reduction collapse in Self Supervised learning methods. I am having difficulty in understanding the complete and dimensional collapse. Please can someone help me in understanding these concepts with some examples or if you can share some useful resources? Thanks submitted by /u/MushiML [link] [comments]  ( 2 min )

It seems there's a lot of attention (ha ha) on developing the most promising methods/models in Machine Learning, but there are a lot of less popular methods that fly under the radar or die out. I want to learn more about the nooks-and-crannies of ML techniques, so in this spirit I have a few questions for discussion! What's your favorite unpopular Machine Learning method? Are there any methods that you think died out before they reached their full potential? Are there any uncommon methods you know of that are really good at a very niche task? More generally, do you think there is a lack of creativity in ML right now with respect to big-picture thinking? I.e. everyone is too focused on improving current models to publish something (publish or perish) at the cost of unfound paradigm shifts? I don't really know where this discussion could go, just wanted to see what everyone had to say :) submitted by /u/SleekEagle [link] [comments]  ( 5 min )

Hello, I'm working on implementing MCDropout on a model of mine, in order to obtain an estimation of uncertainty on the predictions. This is particularly important, as I'm dealing with a regression problem. I'm referring to the method proposed by Gal Y. & Ghahramani Z., 2016, Dropout as a Bayesian Approximation: Representing Model Uncertainty in Deep Learning. If I understand correctly, it is basically necessary to include a dropout layer after every layer, and then leave it active also during inferece. So far so good, easy to implement. My doubts arise from the fact that I'm working with a CNN (in particular a ResNet). As far as I know, dropout is not used in convolution layers, and if required something like SpatialDropout2D (tensorflow) or Dropout2D (pytorch) is usually employed. I wonder if for the convolutional part of the neural network it would be better to do. Should I use a regular dropout layer, as the paper proves that the regular dropout leads to a network equivalent to a Bayesian Neural Netowork in a Variational Inference approach? Or does the proof work also for a 2D dropout, and in that case should I use such a dropout for the convolutional part of the NN? Another question. How do I evaluate the performance of the neural network as a function of the dropout rate? If I were to use a regular neural network, I would be able to test the NN on a validation dataset and find an optimal dropout rate by minimizing whichever criterion I choose. In this case, since the prediction of the neural network has an uncertainty estimation, how do you estimate which is the best model? I would imagine the uncertainty should play a role too. I found a piece of code by Gal, who defines a log likelihood, and they use that to determine the best model: https://github.com/yaringal/DropoutUncertaintyExps/blob/master/net/net.py. Is that somewhat the standard approach? Thank you very much for your help! submitted by /u/TrPhantom8 [link] [comments]  ( 3 min )

Hi folks, we recently implemented multi-touch attribution using shapley and markov chain values at our org, and I wrote a blog post about how we implemented it using a mix of tools (primarily dbt, sagemaker, and our internal tools). I am sharing it here hoping people might find it interesting. Do let me know if you have any questions/feedback/suggestions. https://www.rudderstack.com/blog/from-first-touch-to-multi-touch-attribution-with-rudderstack-dbt-and-sagemaker/ submitted by /u/dileep31 [link] [comments]  ( 1 min )

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I know that certain social networks are likely already using ML/Statistics to identify "fake news" and add a warning sign next to them. However, that depends on the network to implement it. I was wondering if there are any attempts at automatically identifying misinformation across publicly accessible platforms (e.g. reddit comments section, Twitter replies, 9GAG comments, discussion boards of newspapers), or even providing automatic replies with fact-based replies/corrections on top. Now this strikes me as a pretty obvious idea, however I haven't heard about anything in this direction yet, and feel like this could actually be one of the ML areas which may create a wide-range public benefit. submitted by /u/Zahlii [link] [comments]  ( 9 min )

Hello, I am currently working on a project where I need to locate a marker (it's up to me to choose the marker) on a plate with food. Here are (shitty food porn) examples for how the input images might look like: Plate with marker (black) 1 Plate with marker (black) 2 So in the examples, the black marker would need to get localized (e.g. bounding box or the central point or whatever). The following assumptions can be made: The same marker and plate get used across all images and the marker is always visible. Things that can change between images: Angle from which the plate gets looked at, distance from which the plate gets looked at, lighting conditions, the food, etc. ​ So my question is: Does anyone have good ideas for how to localize the marker (as mentioned at the start, I can pick anything as a marker)? I thought of maybe searching for a labeled image dataset that shows the same object from different conditions, print that object on the plate as the marker and use a model trained on said dataset as the localizer, but would like to hear about other options. Also, ofc non-ML methods are welcome! Thank you in advance :) submitted by /u/DontDoMethButMath [link] [comments]  ( 1 min )

Are there any pytorch libraries to do benchmarking of domain adaptation methods for audio/speech tasks? Something like the Transfer Learning Library (https://github.com/thuml/Transfer-Learning-Library/) for images. submitted by /u/kiran__chari [link] [comments]

I would like to know your opinions about Waabi world for high fidelity simulation, what do you think of the following release https://youtu.be/M7xIn2iNytE submitted by /u/meldiwin [link] [comments]

Or are there any 2022 Survey of decoding method in long text generation(more than 512 tokens)? I just found this 2021 Survey: Decoding Methods in Neural Language Generation: A Survey , it mostly about Top-p/Top-k/beam-search, and https://lilianweng.github.io/posts/2021-01-02-controllable-text-generation/#decoding-strategies, but it just about methods in 2020 and before. This latest method seems interesting: Typical Decoding for Natural Language Generation, but i can't reproduce the result in the paper, when test this method, the generated text is worse than old methods like Top-p... There should be some more advanced more better decoding method for long text generation than Top-p/Top-k/beam-search, i think the decoding method is too important for long text generation, different method or different decoding hyperparams can result very different quality texts by the same model especially for long text generation. Large Models like GPT-2 read articles/books more than every single human's whole life, and they know much more knowledge/patterns about the text than every single human, so if we have much better decoding method, we maybe can no need to redesign/retrain/finetune the large models, just like prompt-learning NLG, maybe we can do decoding-centric NLG, it is much cheap than redesign/retrain/finetune large models. So can you suggest some better methods than Top-p/Top-k/beam-search? or do you find some very good hyperparams settings in Top-p/Top-k/beam-search methods for long text generation to maximize the quality of text fluency/coherence/relevance/diversity in GPT-2 size like models? (For large scale model GPT-3, maybe it can generate long text(2048 tokens) with incredible quality with Top-p/Top-k/beam-search, but it is a too big model to study for many researchers.) submitted by /u/ghosthamlet [link] [comments]  ( 1 min )

Basically the title. As of 2022, how are people measuring the direct impacts of their machine learning models on KPIs? From my experience, I too often build and deploy the model and assume it works. What's the current way you guys are running experiments/validating and de-validating models based on KPIs/and iterating? submitted by /u/Adi-Dewan [link] [comments]  ( 1 min )

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In the presence of extrinsic rewards, Deep Reinforcement Learning (RL) is a strong strategy for tackling complex control tasks. Playing video games with pixels, mastering the game of Go, robotic mobility, and dexterous manipulation policies are all examples of successful applications. While effective, the above advancements resulted in agents that were unable to generalize to new downstream tasks other than the one for which they were trained. Humans and animals, on the other hand, can learn skills and apply them to a range of downstream activities with little supervision. In a recent paper, UC Berkeley researchers aim to teach agents with generalization capabilities by efficiently adapting their skills to downstream tasks. Continue reading my summary on this paper Paper | Github https://preview.redd.it/79tv0v03d0l81.png?width=1370&format=png&auto=webp&s=fb04eddc7760cd76ce75d13186dcf0cb54d55af3 submitted by /u/No_Coffee_4638 [link] [comments]  ( 1 min )

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Hello everyone, I need to train an AI to recognize a rectangle object that is always the same size but it's colors and texture can change. I am planning to train it using DLib. Do you guys think this is the right choice? Should I try opencv? I think it would be impossible to train Google's MediaPipe for this. Am I right? In short, which library/algorithm do you guys think I should use to train AI to recognize a rectangular object that can be any color (or mix of colors/stripes/texts/etc) Thanks a lot! submitted by /u/RangerHere [link] [comments]  ( 1 min )

Programming is way more fun when you learn/work with someone. Help each other, ask questions, brainstorm, etc. There is just so much benefit to joining a community when you are in this field, especially when you cannot find the question you are looking for on stack overflow! 😉 This is the same thing with AI, and it is why, nearly two years ago now, we created a Discord server where anyone learning or working in the field could come and share their projects, learn together, work together, and much more. The community has now over 22'000 members, which is just unbelievable! We are so glad to see it growing and especially to see everyone so active. We would love for anyone to join and exchange with us, especially if you are willing to give some of your precious time to share your knowledge and help other people. We have special events and projects for the community as well as cool offers and giveaways, such as an NVIDIA RTX 3080Ti giveaway running right now in collaboration with NVIDIA for the GTC event for the community members! (check out the #announcement channel for more information about this ;) ) Come join us if you are in the field of AI ! https://discord.gg/learnaitogether submitted by /u/OnlyProggingForFun [link] [comments]  ( 1 min )

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Just how humans use vision and language to experience the environment, AI models are built on the foundations of vision and language. Vision-language pre-training has been widely adopted to enable AI agents to understand the world and communicate with humans. This approach involves training a model on image-text data to teach how to grasp both visual and written information. The model is pretrained before fine-tuning it. Skipping this step would reduce the model’s performance because the model then must be trained from the beginning on each subsequent task. You can continue reading my summary on this research or you can also read the paper and check the codes here https://i.redd.it/23klq6w9exk81.gif submitted by /u/No_Coffee_4638 [link] [comments]  ( 1 min )

The way this AI tries to predict my move is simple. So it is pretty easy to pick a move that at least get a draw. At some point I almost thought that the AI pattern may be just hardcoded. https://preview.redd.it/dcef8xoifwk81.png?width=1920&format=png&auto=webp&s=cb7f6b2b90c49dd895e00bbdee0cc8999929fc17 submitted by /u/siubb [link] [comments]

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Imagine walking through the bustling streets of London’s Piccadilly Circus, when suddenly you’re in a tropical rainforest, surrounded by vibrant flowers and dancing butterflies. That’s what audiences will see in the virtual world of The Green Planet AR Experience, an interactive, augmented reality experience that blends physical and digital worlds to connect people with nature. Read article > The post Beyond Be-leaf: Immersive 3D Experience Transports Audiences to Natural Worlds With Augmented Reality appeared first on NVIDIA Blog.  ( 4 min )

The very thing that makes the internet so useful to so many people — the vast quantity of information that’s out there — can also make going online frustrating. There’s so much available that the sheer volume of choices can be overwhelming. That’s where recommender systems come in, explains NVIDIA AI Podcast host Noah Kravitz. Read article > The post Podsplainer: What’s a Recommender System? NVIDIA’s Even Oldridge Breaks It Down appeared first on NVIDIA Blog.  ( 8 min )

Posted by Maxwell Bileschi, Staff Software Engineer and Lucy Colwell, Research Scientist, Google Research, Brain Team Proteins are essential molecules found in all living things. They play a central role in our bodies’ structure and function, and they are also featured in many products that we encounter every day, from medications to household items like laundry detergent. Each protein is a chain of amino acid building blocks, and just as an image may include multiple objects, like a dog and a cat, a protein may also have multiple components, which are called protein domains. Understanding the relationship between a protein’s amino acid sequence — for example, its domains — and its structure or function are long-standing challenges with far-reaching scientific implications. An examp…  ( 8 min )

The Social and Ethical Responsibilities of Computing publishes a collection of original pedagogical materials developed for instructional use on MIT OpenCourseWare.  ( 5 min )

Researchers find similarities between how some computer-vision systems process images and how humans see out of the corners of our eyes.  ( 8 min )

In the presence of extrinsic rewards, Deep Reinforcement Learning (RL) is a strong strategy for tackling complex control tasks. Playing video games with pixels, mastering the game of Go, robotic mobility, and dexterous manipulation policies are all examples of successful applications. While effective, the above advancements resulted in agents that were unable to generalize to new downstream tasks other than the one for which they were trained. Humans and animals, on the other hand, can learn skills and apply them to a range of downstream activities with little supervision. In a recent paper, UC Berkeley researchers aim to teach agents with generalization capabilities by efficiently adapting their skills to downstream tasks. Continue reading my summary on this paper Paper | Github https://preview.redd.it/jeomp8g2d0l81.png?width=1370&format=png&auto=webp&s=24701cfc995eeffcace5a62fb734dce643499487 submitted by /u/No_Coffee_4638 [link] [comments]  ( 1 min )

Hello, I started learning RL a month ago, but I can't really comprehend why we use Double Deep Q learning ! I understand that the problem with queue learning is that we uptade estimation using estimations dynamically, and those estimation will likely be overestimations and that will cause a problem. But the two classic ways of double Q learning : Uptading the target each n steps or slowling uptading the target to be closer to the the policy don't seem to resolve the problem for me theorically .. All explainations will be appreciated ! submitted by /u/MichelMED10 [link] [comments]  ( 1 min )

Hey, Im trying to train some agents for a problem where the action space is supposed to be in a range from [-1, 1] with all actions summing up to 1. Bringing the actions in a range from -1 to 1 is easy but I'm struggling with the idea of making them sum up to one over all dimensions. E.g. action space with 3 dimensions: [0.5, -0.25, 0.75] Do you guys have any idea how to solve that problem? submitted by /u/sedidrl [link] [comments]  ( 2 min )

There are many CTDE methods like QMIX and MAPPO and some fully decentralized methods like IPPO,IQL. What are the Pros and cons of CTDE and fully decentralized training? And if one method uses parameter sharing, could it be regarded as fully decentralized? submitted by /u/Traditional-Ad4492 [link] [comments]  ( 1 min )

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Hi all, I am trying to train a bot to play the wordle game. This game will require the agent to input a word with 5 characters. However, I am not sure how shall I format this problem. The action is a 5-character word. It seems not possible to set it up with a 26 ^ 5 action space for a DQN. Shall I treat it as 5 separated actions in a 26 discrete action set? Or is there a better way to format it? I wonder if there is any similar publication, which tries to generate words as actions, that I could use as a reference? Any comment will be welcomed! Thanks! submitted by /u/jadore801120 [link] [comments]  ( 1 min )

Hey everyone, I want to get myself more involved with transformers. It can be a blog, a YouTube video, a lecture... do you guys have any recommendations that are not as lengthy as a whole semester worth of information? One can (and probably should) argue that before transformers, attention should be the first target to comprehend, and I am open to that also. submitted by /u/ege6211 [link] [comments]  ( 1 min )

What is Stroke ?  ( 5 min )

The importance of set pieces in football (or soccer in the US) has been on the rise in recent years: now more than one quarter of all goals are scored via set pieces. Free kicks and corners generally create the most promising situations, and some professional teams have even hired specific coaches for those parts […]  ( 10 min )

In football, as in many sports, discussions about individual players have always been part of the fun. “Who is the best scorer?” or “Who is the king of defenders?” are questions perennially debated by fans, and social media amplifies this debate. Just consider that Erling Haaland, Robert Lewandowski, and Thomas Müller alone have a combined […]  ( 10 min )

Decision trees are among the most popular machine learning (ML) models and are used routinely in applications ranging from revenue management and medicine to bioinformatics. In this paper, we consider the problem of learning optimal binary classification trees. Literature on the topic has burgeoned in recent years, motivated both by the empirical suboptimality of heuristic approaches and the tremendous improvements in mixed-integer optimization (MIO) technology. Yet, existing MIO-based approaches from the literature do not leverage the power of MIO to its full extent: they rely on weak formulations, resulting in slow convergence and large optimality gaps. To fill this gap in the literature, we propose an intuitive flow-based MIO formulation for learning optimal binary classification trees. Our formulation can accommodate side constraints to enable the design of interpretable and fair decision trees. Moreover, we show that our formulation has a stronger linear optimization relaxation than existing methods. We exploit the decomposable structure of our formulation and max-flow/min-cut duality to derive a Benders' decomposition method to speed-up computation. We propose a tailored procedure for solving each decomposed subproblem that provably generates facets of the feasible set of the MIO as constraints to add to the main problem. We conduct extensive computational experiments on standard benchmark datasets on which we show that our proposed approaches are 31 times faster than state-of-the-art MIO-based techniques and improve out-of-sample performance by up to 8%.  ( 2 min )

Motivation: Biomedical machine reading comprehension (biomedical-MRC) aims to comprehend complex biomedical narratives and assist healthcare professionals in retrieving information from them. The high performance of modern neural network-based MRC systems depends on high-quality, large-scale, human-annotated training datasets. In the biomedical domain, a crucial challenge in creating such datasets is the requirement for domain knowledge, inducing the scarcity of labeled data and the need for transfer learning from the labeled general-purpose (source) domain to the biomedical (target) domain. However, there is a discrepancy in marginal distributions between the general-purpose and biomedical domains due to the variances in topics. Therefore, direct-transferring of learned representations from a model trained on a general-purpose domain to the biomedical domain can hurt the model's performance. Results: We present an adversarial learning-based domain adaptation framework for the biomedical machine reading comprehension task (BioADAPT-MRC), a neural network-based method to address the discrepancies in the marginal distributions between the general and biomedical domain datasets. BioADAPT-MRC relaxes the need for generating pseudo labels for training a well-performing biomedical-MRC model. We extensively evaluate the performance of BioADAPT-MRC by comparing it with the best existing methods on three widely used benchmark biomedical-MRC datasets -- BioASQ-7b, BioASQ-8b, and BioASQ-9b. Our results suggest that without using any synthetic or human-annotated data from the biomedical domain, BioADAPT-MRC can achieve state-of-the-art performance on these datasets. Availability: BioADAPT-MRC is freely available as an open-source project at\\https://github.com/mmahbub/BioADAPT-MRC  ( 2 min )

This paper aims to develop a paradigm that models the learning behavior of intelligent agents (including but not limited to autonomous vehicles, connected and automated vehicles, or human-driven vehicles with intelligent navigation systems where human drivers follow the navigation instructions completely) with a utility-optimizing goal and the system's equilibrating processes in a routing game among atomic selfish agents. Such a paradigm can assist policymakers in devising optimal operational and planning countermeasures under both normal and abnormal circumstances. To this end, we develop a Markov routing game (MRG) in which each agent learns and updates her own en-route path choice policy while interacting with others in transportation networks. To efficiently solve MRG, we formulate it as multi-agent reinforcement learning (MARL) and devise a mean field multi-agent deep Q learning (MF-MA-DQL) approach that captures the competition among agents. The linkage between the classical DUE paradigm and our proposed Markov routing game (MRG) is discussed. We show that the routing behavior of intelligent agents is shown to converge to the classical notion of predictive dynamic user equilibrium (DUE) when traffic environments are simulated using dynamic loading models (DNL). In other words, the MRG depicts DUEs assuming perfect information and deterministic environments propagated by DNL models. Four examples are solved to illustrate the algorithm efficiency and consistency between DUE and the MRG equilibrium, on a simple network without and with spillback, the Ortuzar Willumsen (OW) Network, and a real-world network near Columbia University's campus in Manhattan of New York City.  ( 3 min )

Common wisdom in the graph neural network (GNN) community dictates that anisotropic models -- in which messages sent between nodes are a function of both the source and target node -- are required to achieve state-of-the-art performance. Benchmarks to date have demonstrated that these models perform better than comparable isotropic models -- where messages are a function of the source node only. In this work we provide empirical evidence challenging this narrative: we propose an isotropic GNN, which we call Efficient Graph Convolution (EGC), that consistently outperforms comparable anisotropic models, including the popular GAT or PNA architectures by using spatially-varying adaptive filters. In addition to raising important questions for the GNN community, our work has significant real-world implications for efficiency. EGC achieves higher model accuracy, with lower memory consumption and latency, along with characteristics suited to accelerator implementation, while being a drop-in replacement for existing architectures. As an isotropic model, it requires memory proportional to the number of vertices in the graph ($\mathcal{O}(V)$); in contrast, anisotropic models require memory proportional to the number of edges ($\mathcal{O}(E)$). We demonstrate that EGC outperforms existing approaches across 6 large and diverse benchmark datasets, and conclude by discussing questions that our work raise for the community going forward. Code and pretrained models for our experiments are provided at https://github.com/shyam196/egc.  ( 2 min )

The success of multi-head self-attentions (MSAs) for computer vision is now indisputable. However, little is known about how MSAs work. We present fundamental explanations to help better understand the nature of MSAs. In particular, we demonstrate the following properties of MSAs and Vision Transformers (ViTs): (1) MSAs improve not only accuracy but also generalization by flattening the loss landscapes. Such improvement is primarily attributable to their data specificity, not long-range dependency. On the other hand, ViTs suffer from non-convex losses. Large datasets and loss landscape smoothing methods alleviate this problem; (2) MSAs and Convs exhibit opposite behaviors. For example, MSAs are low-pass filters, but Convs are high-pass filters. Therefore, MSAs and Convs are complementary; (3) Multi-stage neural networks behave like a series connection of small individual models. In addition, MSAs at the end of a stage play a key role in prediction. Based on these insights, we propose AlterNet, a model in which Conv blocks at the end of a stage are replaced with MSA blocks. AlterNet outperforms CNNs not only in large data regimes but also in small data regimes. The code is available at https://github.com/xxxnell/how-do-vits-work.  ( 2 min )

Robot kinematics data, despite being a high dimensional process, is highly correlated, especially when considering motions grouped in certain primitives. These almost linear correlations within primitives allow us to interpret the motions as points drawn close to a union of low-dimensional linear subspaces in the space of all motions. Motivated by results of embedding theory, in particular, generalizations of Whitney embedding theorem, we show that random linear projection of motor sequences into low dimensional space loses very little information about structure of kinematics data. Projected points are very good initial guess for values of latent variables in generative model for robot sensory-motor behaviour primitives. We conducted series of experiments where we trained a recurrent neural network to generate sensory-motor sequences for robotic manipulator with 9 degrees of freedom. Experimental results demonstrate substantial improvement in generalisation abilities for unobserved samples in the case of initialization of latent variables with random linear projection of motor data over initialization with zero or random values. Moreover, latent space is well-structured wherein samples belonging to different primitives are well separated from the onset of training process.  ( 2 min )

Graph neural network (GNN) is effective to model graphs for distributed representations of nodes and an entire graph. Recently, research on the expressive power of GNN attracted growing attention. A highly-expressive GNN has the ability to generate discriminative graph representations. However, in the end-to-end training process for a certain graph learning task, a highly-expressive GNN risks generating graph representations overfitting the training data for the target task, while losing information important for the model generalization. In this paper, we propose Distribution Preserving GNN (DP-GNN) - a GNN framework that can improve the generalizability of expressive GNN models by preserving several kinds of distribution information in graph representations and node representations. Besides the generalizability, by applying an expressive GNN backbone, DP-GNN can also have high expressive power. We evaluate the proposed DP-GNN framework on multiple benchmark datasets for graph classification tasks. The experimental results demonstrate that our model achieves state-of-the-art performances.  ( 2 min )

The problem of classifying high-dimensional shapes in real-world data grows in complexity as the dimension of the space increases. For the case of identifying convex shapes of different geometries, a new classification framework has recently been proposed in which the intersections of a set of one-dimensional representations, called rays, with the boundaries of the shape are used to identify the specific geometry. This ray-based classification (RBC) has been empirically verified using a synthetic dataset of two- and three-dimensional shapes (Zwolak et al. in Proceedings of Third Workshop on Machine Learning and the Physical Sciences (NeurIPS 2020), Vancouver, Canada [December 11, 2020], arXiv:2010.00500, 2020) and, more recently, has also been validated experimentally (Zwolak et al., PRX Quantum 2:020335, 2021). Here, we establish a bound on the number of rays necessary for shape classification, defined by key angular metrics, for arbitrary convex shapes. For two dimensions, we derive a lower bound on the number of rays in terms of the shape's length, diameter, and exterior angles. For convex polytopes in $\mathbb{R}^N$, we generalize this result to a similar bound given as a function of the dihedral angle and the geometrical parameters of polygonal faces. This result enables a different approach for estimating high-dimensional shapes using substantially fewer data elements than volumetric or surface-based approaches.  ( 2 min )

Crowd counting has drawn more attention because of its wide application in smart cities. Recent works achieved promising performance but relied on the supervised paradigm with expensive crowd annotations. To alleviate annotation cost, in this work we proposed a semi-supervised learning framework S4-Crowd, which can leverage both unlabeled/labeled data for robust crowd modelling. In the unsupervised pathway, two self-supervised losses were proposed to simulate the crowd variations such as scale, illumination, etc., based on which and the supervised information pseudo labels were generated and gradually refined. We also proposed a crowd-driven recurrent unit Gated-Crowd-Recurrent-Unit (GCRU), which can preserve discriminant crowd information by extracting second-order statistics, yielding pseudo labels with improved quality. A joint loss including both unsupervised/supervised information was proposed, and a dynamic weighting strategy was employed to balance the importance of the unsupervised loss and supervised loss at different training stages. We conducted extensive experiments on four popular crowd counting datasets in semi-supervised settings. Experimental results suggested the effectiveness of each proposed component in our S4-Crowd framework. Our method also outperformed other state-of-the-art semi-supervised learning approaches on these crowd datasets.  ( 2 min )

RegretNet is a recent breakthrough in the automated design of revenue-maximizing auctions. It combines the expressivity of deep learning with the regret-based approach to relax and quantify the Incentive Compatibility constraint (that participants benefit from bidding truthfully). As a follow-up to its success, we propose two independent modifications of RegretNet, namely a new neural architecture based on the attention mechanism, denoted as TransRegret, and an alternative loss function that is interpretable and significantly less sensitive to hyperparameters. We investigate both proposed modifications in an extensive experimental study in settings with fixed and varied input sizes and additionally test out-of-setting generalization of our network. In all experiments, we find that TransRegret consistently outperforms existing architectures in revenue. Regarding our loss modification, we confirm its effectiveness at controlling the revenue-regret trade-off by varying a single interpretable hyperparameter.  ( 2 min )

Ethical bias in machine learning models has become a matter of concern in the software engineering community. Most of the prior software engineering works concentrated on finding ethical bias in models rather than fixing it. After finding bias, the next step is mitigation. Prior researchers mainly tried to use supervised approaches to achieve fairness. However, in the real world, getting data with trustworthy ground truth is challenging and also ground truth can contain human bias. Semi-supervised learning is a machine learning technique where, incrementally, labeled data is used to generate pseudo-labels for the rest of the data (and then all that data is used for model training). In this work, we apply four popular semi-supervised techniques as pseudo-labelers to create fair classification models. Our framework, Fair-SSL, takes a very small amount (10%) of labeled data as input and generates pseudo-labels for the unlabeled data. We then synthetically generate new data points to balance the training data based on class and protected attribute as proposed by Chakraborty et al. in FSE 2021. Finally, the classification model is trained on the balanced pseudo-labeled data and validated on test data. After experimenting on ten datasets and three learners, we find that Fair-SSL achieves similar performance as three state-of-the-art bias mitigation algorithms. That said, the clear advantage of Fair-SSL is that it requires only 10% of the labeled training data. To the best of our knowledge, this is the first SE work where semi-supervised techniques are used to fight against ethical bias in SE ML models.  ( 2 min )

Graph-based learning is a rapidly growing sub-field of machine learning with applications in social networks, citation networks, and bioinformatics. One of the most popular type of models is graph attention networks. These models were introduced to allow a node to aggregate information from the features of neighbor nodes in a non-uniform way in contrast to simple graph convolution which does not distinguish the neighbors of a node. In this paper, we study theoretically this expected behaviour of graph attention networks. We prove multiple results on the performance of the graph attention mechanism for the problem of node classification for a contextual stochastic block model. Here the features of the nodes are obtained from a mixture of Gaussians and the edges from a stochastic block model where the features and the edges are coupled in a natural way. First, we show that in an "easy" regime, where the distance between the means of the Gaussians is large enough, graph attention maintains the weights of intra-class edges and significantly reduces the weights of the inter-class edges. As a corollary, we show that this implies perfect node classification independent of the weights of inter-class edges. However, a classical argument shows that in the "easy" regime, the graph is not needed at all to classify the data with high probability. In the "hard" regime, we show that every attention mechanism fails to distinguish intra-class from inter-class edges. We evaluate our theoretical results on synthetic and real-world data.  ( 2 min )